data_6ti7_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6ti7 _Structure_validation_residue.Date_analyzed 2020-07-17 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 ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -85.92 96.81 9.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.427 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 33.3 m170 -91.02 90.14 7.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.325 0.583 . . . . 10.0 110.565 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -106.27 121.42 44.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.373 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.15 127.02 47.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.311 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.77 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -123.79 117.01 23.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.92 136.07 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.11 104.67 9.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.054 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.65 103.34 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.96 121.82 44.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.728 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 74.5 mm-40 -88.03 148.61 24.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.437 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -121.29 103.96 9.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 12.7 t -135.36 -24.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.092 0.472 . . . . 10.0 110.583 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -113.49 -155.65 11.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.847 -0.692 . . . . 10.0 112.227 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 5.0 p -73.53 120.7 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.658 -0.319 . . . . 10.0 110.69 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -62.26 153.65 30.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.557 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 12.9 tptm -150.27 -92.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.478 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 157.92 126.34 0.88 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.638 -0.792 . . . . 10.0 112.78 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.51 163.94 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 10.0 110.872 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 mm -112.34 89.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB ' ' B' ' 32' ' ' ILE . 34.6 pt -110.99 135.08 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.233 0.54 . . . . 10.0 112.421 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.12 119.07 3.62 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 34' ' ' LEU . 27.4 mt -104.79 100.87 10.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -114.87 23.47 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.563 HG13 ' HB ' ' B' ' 36' ' ' VAL . 4.6 t -68.24 114.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.51 155.93 26.76 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.834 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -150.47 147.07 16.79 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.644 HG13 HG23 ' B' ' 39' ' ' VAL . 3.6 p -151.69 124.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.969 0.414 . . . . 10.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.493 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.164 0.506 . . . . 10.0 110.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.744 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -94.55 97.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 179.374 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -72.93 110.88 7.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.707 0.289 . . . . 10.0 110.519 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 22.9 m170 -111.58 89.5 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 10.0 110.125 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -110.71 111.09 22.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.704 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -121.64 116.96 25.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.318 0.58 . . . . 10.0 111.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.77 HD13 ' HG ' ' A' ' 17' ' ' LEU . 2.1 mp -109.07 110.73 22.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.054 -0.975 . . . . 10.0 109.052 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 t -116.98 120.92 66.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.763 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -116.38 125.32 51.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.451 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.57 125.39 53.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.78 99.77 4.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.728 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 22.0 mt-10 -95.99 85.37 4.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.625 -0.261 . . . . 10.0 111.586 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -78.23 79.91 4.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.066 0.46 . . . . 10.0 110.075 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.689 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 21.9 t -87.01 -15.0 9.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.49 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.05 -69.46 0.86 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.291 -0.957 . . . . 10.0 112.178 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 46.9 m -157.09 114.64 3.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.481 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 4.4 m120 -61.75 152.76 30.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.318 0.58 . . . . 10.0 111.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.601 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 7.3 tttp -148.71 -113.82 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.426 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.481 ' H ' ' HB3' ' B' ' 28' ' ' LYS . . . -170.65 107.23 0.26 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.493 -1.337 . . . . 10.0 113.578 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 151.79 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.934 HD12 HG22 ' J' ' 39' ' ' VAL . 0.9 OUTLIER -97.07 125.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.464 0.65 . . . . 10.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 32' ' ' ILE . 55.4 mt -131.39 115.46 28.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.738 -0.665 . . . . 10.0 109.689 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -112.28 115.24 3.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.353 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.483 HD13 HD13 ' C' ' 34' ' ' LEU . 3.3 mm? -97.74 90.27 4.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.84 37.2 2.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 10.0 110.881 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.657 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 18.3 t -76.2 104.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.93 130.45 6.92 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.645 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -126.91 130.42 6.91 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.374 -0.691 . . . . 10.0 111.374 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 1.008 HG22 HD11 ' J' ' 31' ' ' ILE . 2.6 p -127.04 136.35 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.413 . . . . 10.0 111.275 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.646 HG22 ' HB ' ' C' ' 40' ' ' VAL . 72.6 t -135.11 139.8 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.985 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 1.004 HG12 HG21 ' J' ' 31' ' ' ILE . 11.0 mt -58.01 129.72 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.103 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.604 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.521 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.118 0.485 . . . . 10.0 111.194 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.744 HG12 ' HB ' ' B' ' 12' ' ' VAL . 5.7 m -104.38 125.61 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -86.23 89.56 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . 0.409 ' HD2' ' HB2' ' B' ' 14' ' ' HIS . 7.6 m170 -80.23 101.47 8.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.335 0.588 . . . . 10.0 112.216 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -115.43 93.54 4.33 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 88.8 tttt -104.83 119.65 39.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 10.0 111.815 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -120.41 112.46 19.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.411 HG13 HG13 ' D' ' 18' ' ' VAL . 8.4 p -134.23 130.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.503 0.668 . . . . 10.0 112.418 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -123.45 127.53 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.872 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.18 109.35 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.897 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.56 109.72 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -110.65 116.26 31.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.911 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.9 OUTLIER -102.21 120.62 40.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.287 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.28 7.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.46 0.648 . . . . 10.0 109.406 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -132.53 -68.88 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.566 -0.826 . . . . 10.0 113.09 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -163.14 94.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 58.1 t30 -63.29 142.31 58.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.906 0.384 . . . . 10.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -123.27 -82.23 0.65 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.586 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.9 106.73 0.19 Allowed Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.934 -1.127 . . . . 10.0 113.693 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.497 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -93.77 172.69 8.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.827 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -112.93 119.19 59.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.567 0.698 . . . . 10.0 111.531 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.65 100.1 8.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.354 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.67 103.22 2.2 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.251 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.563 ' HG ' HD23 ' D' ' 34' ' ' LEU . 5.5 mp -93.96 81.43 4.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.187 0.518 . . . . 10.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.661 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 5.0 mpp? -93.14 50.78 1.57 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.883 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.8 t -86.98 123.36 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.774 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.834 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -137.59 168.51 24.43 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.275 -0.964 . . . . 10.0 112.841 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.03 147.77 17.94 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.882 HG21 ' HA3' ' K' ' 33' ' ' GLY . 0.9 OUTLIER -139.14 129.79 33.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.74 0.305 . . . . 10.0 111.154 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.646 ' HB ' HG22 ' B' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.704 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.914 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 75.3 mt-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' C' ' 11' ' ' GLU . 4.1 p -169.84 154.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.469 0.176 . . . . 10.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.42 132.52 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.015 0.436 . . . . 10.0 111.645 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -131.14 84.75 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 18.8 pt20 -108.82 140.48 42.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 10.0 111.642 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 30.3 ttpt -140.6 122.23 15.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.039 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.25 112.49 23.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.507 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.5 t -119.75 115.68 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.307 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -115.88 125.44 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -106.61 125.47 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.616 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.3 99.94 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.888 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -104.2 96.85 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.602 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.78 92.03 8.21 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.462 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 92.1 t -86.85 -24.96 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 10.0 111.784 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.487 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -93.06 -81.47 1.49 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.339 -0.934 . . . . 10.0 113.427 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -151.15 113.64 4.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.7 OUTLIER -63.26 155.86 27.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.688 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 49.9 tttm -141.11 -107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.578 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . -165.46 99.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.178 -1.01 . . . . 10.0 112.86 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -100.5 153.28 19.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.827 ' HA ' HG12 ' C' ' 31' ' ' ILE 0.259 0.0 OUTLIER -97.94 127.46 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.404 0.621 . . . . 10.0 112.372 178.989 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mt -125.38 96.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 111.3 4.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.604 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.563 HD23 ' HG ' ' C' ' 34' ' ' LEU . 1.6 mm? -101.31 78.46 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.948 0.404 . . . . 10.0 109.959 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.848 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.8 mpp? -94.72 73.81 3.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.124 0.487 . . . . 10.0 110.771 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' C' ' 36' ' ' VAL . 31.7 t -102.6 122.59 55.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.642 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.968 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.11 125.89 2.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.941 -1.123 . . . . 10.0 112.911 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 133.58 7.48 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.66 -0.781 . . . . 10.0 111.648 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 1.05 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.9 m -130.23 144.6 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 10.0 112.096 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.861 HG22 ' HB ' ' E' ' 40' ' ' VAL . 11.6 t -140.94 142.27 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.116 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 tt -82.91 128.99 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.914 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.1 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.742 0.782 . . . . 10.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . 0.499 HG12 HG12 ' D' ' 12' ' ' VAL . 18.8 m -86.53 143.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -90.91 92.78 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.47 102.68 15.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.829 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' F' ' 15' ' ' GLN . 3.9 tt0 -121.29 110.89 16.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.17 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -123.27 131.2 53.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.148 0.499 . . . . 10.0 111.305 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.625 HD22 HD23 ' E' ' 34' ' ' LEU . 3.0 mp -123.23 116.0 22.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.45 -0.796 . . . . 10.0 109.174 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -122.63 125.46 72.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.325 0.583 . . . . 10.0 111.928 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -120.65 122.14 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.668 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -106.59 104.06 13.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.096 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 108.52 19.51 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -115.52 129.47 56.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.811 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.52 142.51 50.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.286 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.485 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.8 t -138.18 19.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.19 -62.22 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.286 -0.959 . . . . 10.0 113.6 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.95 121.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.798 0.299 . . . . 10.0 110.842 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.64 164.23 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.784 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.585 ' HD2' ' HG2' ' F' ' 28' ' ' LYS . 15.0 ttmm -142.82 -102.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.978 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -162.43 100.02 0.18 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.015 -1.088 . . . . 10.0 113.624 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -83.81 154.4 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -114.87 86.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.092 0.472 . . . . 10.0 109.838 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.68 120.66 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.133 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.609 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -125.35 105.43 0.83 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.303 -0.951 . . . . 10.0 113.428 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.625 HD23 HD22 ' E' ' 17' ' ' LEU . 7.9 mp -93.79 72.19 4.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ptp -90.99 69.22 6.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 10.0 110.828 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.7 m -102.74 138.85 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.641 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.94 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -146.96 147.52 18.42 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.088 -1.053 . . . . 10.0 112.9 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.56 138.26 9.81 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 1.045 HG21 ' HA3' ' M' ' 33' ' ' GLY . 43.9 t -132.55 122.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.937 0.398 . . . . 10.0 112.017 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.861 ' HB ' HG22 ' D' ' 40' ' ' VAL . 76.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.895 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.63 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.188 0.518 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.839 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.7 t -106.92 100.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.87 125.93 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.965 0.357 . . . . 10.0 111.965 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -127.0 81.17 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.216 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.53 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 9.8 tt0 -103.68 118.24 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.372 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -134.19 130.57 37.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.294 0.569 . . . . 10.0 111.804 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.13 117.0 28.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.579 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.909 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.0 t -117.62 118.24 57.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.127 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.6 129.34 53.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.048 0.451 . . . . 10.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -109.16 126.05 52.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.96 85.36 2.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -104.65 102.07 11.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.866 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.591 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 31.2 m-20 -112.85 115.03 27.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.318 0.58 . . . . 10.0 110.137 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 29.0 m -106.34 31.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.661 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.99 -89.32 0.15 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.074 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -134.51 92.97 2.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.3 m120 -63.45 134.64 56.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.913 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.585 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 2.8 tmtt? -116.97 -53.6 2.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 117.5 120.69 3.1 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.766 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -89.71 159.86 16.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.639 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 17.8 tt -103.98 112.79 38.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.642 0.734 . . . . 10.0 110.543 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.634 HG12 HD12 ' G' ' 32' ' ' ILE . 15.4 mt -114.68 112.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.109 -0.951 . . . . 10.0 110.521 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 103.43 2.21 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.7 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.0 mm? -90.62 76.85 6.47 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.716 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 0.9 OUTLIER -89.62 68.09 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 10.0 109.895 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' E' ' 36' ' ' VAL . 26.3 t -98.94 118.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.506 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.8 149.29 18.73 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.369 -0.919 . . . . 10.0 113.187 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -139.78 143.41 13.74 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.4 -0.68 . . . . 10.0 111.4 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.861 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.4 t -144.97 143.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.286 . . . . 10.0 111.681 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' G' ' 40' ' ' VAL . 8.5 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 10.0 110.905 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.839 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.3 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.553 0.692 . . . . 10.0 112.806 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -96.38 105.01 17.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.11 114.63 23.89 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.061 0.458 . . . . 10.0 111.745 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.53 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 1.4 tp60 -126.43 86.07 2.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' G' ' 16' ' ' LYS . 1.7 tmmm? -109.71 114.17 27.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.919 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 32.3 mt -116.05 115.71 26.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.909 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.6 m -128.71 125.73 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.476 0.655 . . . . 10.0 112.489 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -126.35 126.98 44.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.416 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.43 120.21 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.394 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.76 111.85 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.17 123.61 42.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.45 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.48 126.66 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 10.0 110.286 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.0 t -114.81 18.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.249 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.82 -72.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.345 -0.931 . . . . 10.0 113.412 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.46 105.78 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.712 -0.287 . . . . 10.0 110.717 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.79 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 23.3 t-20 -63.49 146.64 53.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.524 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -126.36 -42.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.858 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 105.19 114.47 3.96 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.103 -1.046 . . . . 10.0 112.571 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.743 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -87.62 168.41 13.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.341 . . . . 10.0 111.296 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.61 88.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.301 -0.999 . . . . 10.0 108.301 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.634 HD12 HG12 ' F' ' 32' ' ' ILE . 8.3 mt -99.29 104.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 10.0 111.075 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.432 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -111.25 115.98 4.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.57 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.11 76.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.881 0.372 . . . . 10.0 110.735 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.587 ' HG2' ' HA ' ' H' ' 35' ' ' MET . 0.1 OUTLIER -83.38 80.04 9.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.917 0.865 . . . . 10.0 109.834 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.484 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 39.8 t -97.13 108.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.92 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.37 127.58 7.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.268 -0.968 . . . . 10.0 111.657 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . 0.506 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -141.81 116.2 1.06 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.126 -1.035 . . . . 10.0 112.847 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 1.02 ' HB ' HD11 ' O' ' 31' ' ' ILE . 33.9 m -122.89 152.76 27.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 10.0 111.625 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' F' ' 40' ' ' VAL . 2.6 p . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' H' ' 12' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' G' ' 12' ' ' VAL . 2.9 m -66.46 137.41 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.689 0.281 . . . . 10.0 110.998 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -57.32 127.97 34.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.604 0.964 . . . . 10.0 113.604 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -125.75 95.01 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.994 -1.003 . . . . 10.0 109.324 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -105.2 125.15 50.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.725 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -134.68 119.16 17.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.84 109.82 15.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.892 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.19 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.717 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -132.56 133.92 44.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 10.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.12 130.21 56.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.108 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 90.74 2.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -109.7 142.19 41.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.443 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.39 130.35 20.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.719 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.59 13.78 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.984 0.421 . . . . 10.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.62 -61.94 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.163 -1.018 . . . . 10.0 112.672 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -155.14 102.27 2.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.79 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 28.3 t-20 -51.16 140.05 17.13 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.575 0.547 . . . . 10.0 110.024 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.591 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 22.5 tttp -122.66 167.33 13.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.912 0.387 . . . . 10.0 111.029 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.743 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -87.6 75.88 2.07 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 111.285 -0.726 . . . . 10.0 111.285 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 138.25 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 10.0 110.718 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -91.22 114.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.187 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.45 114.39 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG11 ' P' ' 39' ' ' VAL . . . -122.36 112.47 2.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.908 -0.663 . . . . 10.0 111.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -104.18 93.18 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.693 0.282 . . . . 10.0 111.466 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.587 ' HA ' ' HG2' ' G' ' 35' ' ' MET . 8.6 tpt -88.98 90.4 8.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.126 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 61.5 t -94.15 124.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.274 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -125.35 107.06 0.94 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.198 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.04 179.562 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' J' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.044 0.45 . . . . 10.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -118.32 149.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -80.56 92.2 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.608 ' HB2' ' HD2' ' J' ' 14' ' ' HIS . 34.5 m80 -88.96 91.08 8.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.067 0.46 . . . . 10.0 110.385 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -101.85 115.65 30.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.248 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -113.95 122.06 45.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.546 HD21 HD22 ' I' ' 34' ' ' LEU . 39.6 tp -129.14 123.64 32.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.61 135.64 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 10.0 112.381 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -113.47 110.38 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.423 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -92.89 101.05 13.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.678 0.275 . . . . 10.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.65 115.97 31.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.854 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 12.6 mm-40 -90.22 136.85 32.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.212 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.597 ' HA ' HD21 ' J' ' 27' ' ' ASN . 3.8 t0 -112.36 109.33 18.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.078 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.642 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 12.6 t -131.49 -16.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.141 0.496 . . . . 10.0 110.327 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.554 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -116.5 -138.99 6.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.034 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -91.44 114.81 27.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.91 0.355 . . . . 10.0 110.391 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -62.36 153.53 30.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.791 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 24.0 mtpp -148.68 -85.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.798 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 154.58 124.82 0.94 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.472 -0.87 . . . . 10.0 112.463 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -81.68 166.9 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 10.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.604 HD13 ' H ' ' B' ' 42' ' ' ALA . 1.2 mt -117.51 92.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . 0.586 HG22 ' HB ' ' J' ' 32' ' ' ILE . 28.1 pt -110.27 130.32 63.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.34 106.32 1.67 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.706 -0.958 . . . . 10.0 110.706 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.546 HD22 HD21 ' I' ' 17' ' ' LEU . 22.0 mt -95.78 99.49 11.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 10.0 111.627 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.05 18.46 17.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.173 0.511 . . . . 10.0 110.236 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.729 HG12 ' HB ' ' J' ' 36' ' ' VAL . 3.0 m -65.62 128.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.551 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -168.78 -161.67 19.41 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.667 -0.778 . . . . 10.0 112.063 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.35 164.36 23.91 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.384 -0.686 . . . . 10.0 111.384 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.697 HG13 HG23 ' J' ' 39' ' ' VAL . 7.3 p -149.56 133.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 10.0 111.154 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' J' ' 40' ' ' VAL . 2.8 t -130.85 166.09 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 pt -61.62 120.57 7.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 10.0 110.708 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.059 -179.592 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.562 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 43.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.856 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.5 t -105.61 94.76 3.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -69.59 113.65 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.917 0.389 . . . . 10.0 111.325 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.608 ' HD2' ' HB2' ' I' ' 14' ' ' HIS . 35.7 m170 -115.63 91.97 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.305 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -106.45 119.5 39.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.375 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -118.42 107.42 13.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -107.21 98.98 8.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.8 ' HB ' HG12 ' K' ' 18' ' ' VAL . 15.7 t -113.17 117.88 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.611 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 70.0 m-85 -112.06 126.2 54.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.4 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -110.61 128.52 55.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.81 99.66 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.854 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 pt-20 -104.26 92.38 4.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.048 0.452 . . . . 10.0 111.825 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.598 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.9 OUTLIER -78.79 81.18 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.922 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.642 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 21.2 t -80.59 -16.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.863 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.05 -73.46 1.09 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.663 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.554 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 71.6 m -154.0 113.86 3.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.839 0.352 . . . . 10.0 110.407 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.597 HD21 ' HA ' ' I' ' 23' ' ' ASP . 4.9 m120 -60.22 156.04 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.275 -0.875 . . . . 10.0 111.468 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.874 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.4 OUTLIER -150.77 -102.93 0.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.012 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -174.02 96.85 0.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 119.58 -1.295 . . . . 10.0 113.824 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.59 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -79.39 147.79 32.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 1.008 HD11 HG22 ' B' ' 39' ' ' VAL . 1.5 tp -104.44 106.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.631 0.729 . . . . 10.0 111.407 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.586 ' HB ' HG22 ' I' ' 32' ' ' ILE . 13.7 mm -112.89 126.98 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.369 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.04 117.72 3.57 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.762 -0.732 . . . . 10.0 111.537 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.439 HD23 HD13 ' K' ' 34' ' ' LEU . 90.3 mt -109.52 100.64 9.67 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.693 -0.298 . . . . 10.0 110.811 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.534 ' HE1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 mmt -108.53 29.23 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 10.0 109.794 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.729 ' HB ' HG12 ' I' ' 36' ' ' VAL . 16.4 t -70.66 109.46 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.034 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -146.71 136.17 6.08 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.751 -0.737 . . . . 10.0 112.221 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.56 137.34 9.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.512 -0.851 . . . . 10.0 111.871 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.934 HG22 HD12 ' B' ' 31' ' ' ILE . 2.9 p -121.86 128.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 10.0 110.779 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG13 ' I' ' 40' ' ' VAL . 73.2 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 7.3 mm-40 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.121 0.486 . . . . 10.0 110.631 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . 0.856 HG12 ' HB ' ' J' ' 12' ' ' VAL . 5.0 m -94.42 123.96 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -82.96 92.65 7.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.401 -1.333 . . . . 10.0 107.401 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -83.81 105.17 14.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.316 0.579 . . . . 10.0 112.202 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -120.61 98.29 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.086 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -107.42 124.65 50.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.558 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.458 HD23 ' HB2' ' L' ' 17' ' ' LEU . 11.9 mt -125.38 106.46 9.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.8 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.2 m -124.74 130.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.32 0.581 . . . . 10.0 112.209 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 65.7 m-85 -124.75 124.98 43.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.106 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.21 109.25 18.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.772 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.51 112.86 24.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.85 115.39 27.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.611 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.598 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 5.1 t70 -100.86 123.66 45.39 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.799 0.333 . . . . 10.0 111.003 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.75 1.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.066 0.46 . . . . 10.0 110.052 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.39 -69.36 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.341 -0.933 . . . . 10.0 113.603 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -160.73 99.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.682 0.241 . . . . 10.0 110.645 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 54.0 t30 -70.19 148.53 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.923 0.392 . . . . 10.0 111.56 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.874 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 6.5 ttpp -126.05 -89.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.297 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . 179.89 101.53 0.15 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.917 -1.135 . . . . 10.0 113.349 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . 0.496 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -93.8 150.09 20.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.727 ' HA ' HG23 ' J' ' 31' ' ' ILE . 4.2 tt -101.75 115.3 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.612 0.968 . . . . 10.0 113.612 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.524 HG12 HD12 ' L' ' 32' ' ' ILE . 59.4 mt -116.89 108.78 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.082 -0.963 . . . . 10.0 108.778 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . 0.882 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -112.73 114.91 3.58 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.811 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.659 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.75 87.5 3.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.109 0.481 . . . . 10.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.834 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.3 mpp? -93.63 55.47 2.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.615 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.692 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 33.5 t -92.61 125.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.183 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . 0.661 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -148.01 172.39 28.32 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.638 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.39 155.98 27.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.963 -0.637 . . . . 10.0 111.908 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' J' ' 39' ' ' VAL . 11.4 p -144.64 130.77 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.604 HG22 ' HB ' ' L' ' 40' ' ' VAL . 81.9 t -135.64 143.89 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . 0.469 ' HA ' ' CG2' ' C' ' 31' ' ' ILE . 5.5 tp -67.86 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.924 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.596 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . 0.752 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 45.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.305 0.098 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' K' ' 11' ' ' GLU . 1.6 p -164.39 166.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.687 -0.405 . . . . 10.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . 0.46 ' H ' HG22 ' L' ' 12' ' ' VAL . 79.6 t60 -97.42 140.85 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.884 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -131.34 99.14 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.442 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . 0.403 ' HB2' ' NE2' ' L' ' 13' ' ' HIS . 38.2 tt0 -110.4 128.63 55.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.016 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -132.55 115.94 16.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.257 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.458 ' HB2' HD23 ' K' ' 17' ' ' LEU . 7.4 mp -117.36 109.02 16.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.44 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' M' ' 18' ' ' VAL . 11.1 t -120.16 114.84 45.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.921 0.391 . . . . 10.0 110.314 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 25.8 m-85 -116.82 122.94 45.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -106.01 125.15 50.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.727 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 94.02 3.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.533 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.98 103.3 15.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.021 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.9 OUTLIER -100.53 89.96 4.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.114 0.483 . . . . 10.0 110.961 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.612 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 60.4 t -76.28 -28.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.055 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.59 -123.13 4.78 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.32 -0.943 . . . . 10.0 112.628 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -98.73 127.46 44.67 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . 0.68 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.5 OUTLIER -82.41 157.84 23.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' K' ' 28' ' ' LYS . 41.8 tttt -140.03 -103.66 0.16 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 10.0 111.799 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . -165.58 88.8 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.934 -1.126 . . . . 10.0 113.703 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.39 150.88 23.52 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 1.05 HD11 ' HB ' ' D' ' 39' ' ' VAL . 0.8 OUTLIER -112.43 121.45 64.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.546 HG12 HD11 ' M' ' 32' ' ' ILE . 38.2 mt -113.76 110.76 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.719 -1.128 . . . . 10.0 109.371 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . 0.411 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -104.81 109.32 3.28 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.347 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.659 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.0 mm? -99.29 83.55 2.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.968 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.0 mpp? -98.39 80.76 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.184 0.516 . . . . 10.0 110.582 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 14.5 t -111.43 125.41 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.456 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.848 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.55 119.77 1.32 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.21 -0.995 . . . . 10.0 113.215 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.26 145.23 16.5 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.227 -0.749 . . . . 10.0 111.227 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' M' ' 39' ' ' VAL . 1.4 m -131.88 161.16 41.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.96 0.409 . . . . 10.0 111.795 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG22 ' K' ' 40' ' ' VAL . 48.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.901 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . 0.752 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 6.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.724 0.773 . . . . 10.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 19.4 m -119.33 139.47 46.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.291 -0.868 . . . . 10.0 111.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' N' ' 13' ' ' HIS . 6.0 t60 -80.99 102.3 10.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.999 -1.112 . . . . 10.0 107.999 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 100.94 12.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.312 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . 0.596 HE22 HG21 ' M' ' 36' ' ' VAL . 23.4 tt0 -118.58 109.38 16.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.372 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 10.0 111.569 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.826 HD22 HD23 ' M' ' 34' ' ' LEU . 4.2 mp -121.19 117.93 28.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.293 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.5 m -124.32 126.39 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.291 0.567 . . . . 10.0 111.977 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . 0.52 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 22.0 m-85 -120.05 123.13 42.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.313 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -109.77 99.98 9.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.303 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.37 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -122.94 111.77 17.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.506 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.86 131.92 51.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.612 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.5 t -119.95 11.08 6.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.576 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.35 -69.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.177 -1.011 . . . . 10.0 113.156 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -157.15 109.84 2.49 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.64 -0.33 . . . . 10.0 110.799 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . 0.479 HD22 ' CG ' ' L' ' 23' ' ' ASP . 12.0 t-20 -73.06 166.71 22.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.7 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 0.0 OUTLIER -145.96 -102.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.489 ' H ' ' HB3' ' M' ' 28' ' ' LYS . . . -150.12 78.09 0.22 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.518 -1.325 . . . . 10.0 114.31 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.37 133.65 35.23 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.875 HG23 HG12 ' N' ' 31' ' ' ILE . 8.4 tt -112.58 117.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.923 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.0 pt -115.9 123.8 71.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.085 -0.961 . . . . 10.0 110.344 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . 1.045 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -114.69 117.0 3.93 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.671 -0.776 . . . . 10.0 112.406 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.826 HD23 HD22 ' M' ' 17' ' ' LEU . 7.2 mp -104.49 83.54 2.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.76 0.314 . . . . 10.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.94 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.9 mpp? -95.91 89.67 5.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.818 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.596 HG21 HE22 ' M' ' 15' ' ' GLN . 1.2 p -124.98 125.7 70.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.598 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -145.86 169.07 27.38 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.492 -0.861 . . . . 10.0 112.213 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.41 139.72 5.87 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.864 -0.684 . . . . 10.0 111.564 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' L' ' 39' ' ' VAL . 34.9 m -127.51 130.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.539 -0.171 . . . . 10.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.587 ' CG1' ' HB ' ' N' ' 40' ' ' VAL . 13.4 m -146.42 169.76 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . 0.456 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 1.9 mm -148.16 118.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.055 . . . . 10.0 108.509 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.601 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.976 0.417 . . . . 10.0 111.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.435 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.3 OUTLIER -81.38 136.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.643 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' M' ' 13' ' ' HIS . 68.1 t60 -64.89 128.3 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.541 -0.754 . . . . 10.0 112.065 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -122.59 87.96 2.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' HB3' ' O' ' 15' ' ' GLN . 18.7 tt0 -99.85 127.06 46.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -130.36 113.45 14.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.089 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.464 HD22 HD13 ' N' ' 34' ' ' LEU . 5.6 mp -111.91 120.56 42.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.462 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 4.8 t -122.77 118.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.006 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . 0.457 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 61.3 m-85 -122.26 122.16 38.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.714 0.292 . . . . 10.0 111.017 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -105.71 125.66 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.332 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 102.01 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -110.38 104.55 13.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.69 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 52.6 m-20 -100.09 93.64 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.423 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.532 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 98.3 t -75.53 -28.34 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.18 -73.09 1.07 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.46 -0.876 . . . . 10.0 112.006 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 41.9 t -177.87 132.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 15.4 p30 -93.49 157.69 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 10.0 111.208 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.7 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 22.8 tptm -115.4 -80.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.548 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.73 94.56 0.13 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -101.74 145.95 28.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.875 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -119.45 116.69 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.885 0.85 . . . . 10.0 112.496 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.923 ' HB ' HG22 ' M' ' 32' ' ' ILE . 72.1 mt -108.67 112.27 39.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . 0.754 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -106.94 118.89 5.74 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.274 -0.965 . . . . 10.0 113.41 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.751 HD12 ' HG ' ' M' ' 34' ' ' LEU . 77.5 mt -111.33 101.84 10.28 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.55 ' O ' ' HA ' ' O' ' 35' ' ' MET . 6.4 mtm -117.18 98.16 6.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.066 0.46 . . . . 10.0 110.059 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.9 p -130.17 129.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.172 0.51 . . . . 10.0 111.317 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.716 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.74 139.18 9.17 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.802 -0.713 . . . . 10.0 111.623 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.3 151.15 20.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.735 -0.745 . . . . 10.0 111.847 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 22.6 m -134.37 136.34 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.776 0.322 . . . . 10.0 111.542 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.587 ' HB ' ' CG1' ' M' ' 40' ' ' VAL . 74.7 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.92 0.391 . . . . 10.0 110.802 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.56 179.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.945 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -119.41 114.55 22.49 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -99.05 102.63 14.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.005 0.431 . . . . 10.0 111.559 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . 0.564 ' HB3' ' HG3' ' N' ' 15' ' ' GLN . 3.3 mt-30 -112.46 99.78 8.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 40.2 mtmt -111.51 116.76 31.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.072 0.463 . . . . 10.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.19 113.82 25.17 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.3 p -129.81 122.72 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.479 0.657 . . . . 10.0 112.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.49 135.7 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.387 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -113.66 117.5 31.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 105.04 9.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -116.91 124.52 49.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.838 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . 0.442 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.8 t70 -108.28 141.88 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.382 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 2.8 t -125.74 8.22 4.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.839 0.352 . . . . 10.0 110.793 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 119.669 -1.253 . . . . 10.0 114.327 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.03 105.01 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.885 0.343 . . . . 10.0 111.191 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.882 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 49.8 t-20 -89.02 103.46 16.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.864 0.364 . . . . 10.0 110.727 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' P' ' 28' ' ' LYS . 1.0 OUTLIER -72.06 -47.1 54.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.354 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 117.57 124.6 3.49 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.267 -0.968 . . . . 10.0 113.251 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . 0.724 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -108.22 176.33 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 1.02 HD11 ' HB ' ' G' ' 39' ' ' VAL . 0.3 OUTLIER -125.73 109.66 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.68 0.753 . . . . 10.0 110.683 178.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.489 HD11 HG12 ' N' ' 32' ' ' ILE . 5.1 pt -110.64 110.66 32.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.18 -0.918 . . . . 10.0 109.418 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.46 116.56 5.37 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.371 -0.919 . . . . 10.0 112.565 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.04 102.76 12.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.5 mtm -117.58 103.23 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.092 0.472 . . . . 10.0 110.85 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.847 HG12 ' HB ' ' P' ' 36' ' ' VAL . 4.2 m -124.72 139.38 51.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.924 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.98 147.11 18.98 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -145.14 138.32 7.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.847 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.432 HG11 ' HA3' ' G' ' 33' ' ' GLY . 1.4 m -126.72 151.62 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' P' ' 40' ' ' VAL . 7.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 110.913 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.655 0.264 . . . . 10.0 110.432 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -111.09 112.43 24.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.018 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -129.5 97.05 4.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 12.3 ptmt -117.48 119.55 35.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.55 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.82 119.81 40.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.626 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -120.95 119.67 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.68 134.87 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.72 139.13 46.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.368 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.64 91.98 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 10.0 110.737 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -125.59 123.58 39.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . 0.607 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 7.1 t0 -125.02 130.07 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.151 0.5 . . . . 10.0 110.131 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . 0.606 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 33.4 m -93.58 5.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.924 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.84 -78.68 0.28 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.111 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -133.76 106.46 7.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.535 0.207 . . . . 10.0 110.563 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.882 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.7 m120 -74.41 75.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' O' ' 28' ' ' LYS . 8.3 mmmm -58.83 -64.5 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.489 0.661 . . . . 10.0 109.893 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . 0.724 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 91.12 151.35 26.51 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 115.295 -0.866 . . . . 10.0 112.089 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.35 -170.17 2.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.562 HD11 HG23 ' G' ' 39' ' ' VAL . 1.6 tt -105.6 118.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.13 0.491 . . . . 10.0 111.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.38 127.43 72.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.55 114.65 3.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.596 -0.812 . . . . 10.0 112.801 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.14 87.55 2.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA2' ' H' ' 37' ' ' GLY . 2.8 mpt? -100.77 103.85 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.77 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . 0.847 ' HB ' HG12 ' O' ' 36' ' ' VAL . 44.9 t -126.05 121.41 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.97 134.87 8.38 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.543 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . 0.489 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -128.36 127.64 5.73 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.574 -0.611 . . . . 10.0 111.574 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.58 HG11 ' HA3' ' H' ' 33' ' ' GLY . 15.9 m -117.04 126.04 74.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.936 0.398 . . . . 10.0 111.367 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 47.3 t . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 10.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.42 ' H ' HG12 ' A' ' 12' ' ' VAL . 27.9 t60 -102.2 116.8 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.561 -1.199 . . . . 10.0 107.998 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -103.37 113.28 26.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.016 0.436 . . . . 10.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.03 115.41 20.49 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.873 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -130.26 122.46 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.67 104.73 9.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -115.87 123.04 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -109.53 110.67 21.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.116 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.74 100.24 10.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -106.97 119.93 40.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.923 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 2.5 mm-40 -85.59 167.18 15.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.02 103.68 4.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.442 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.2 t -132.46 -32.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.055 0.455 . . . . 10.0 110.246 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -104.86 -159.3 23.59 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.069 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -64.01 122.29 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.385 0.274 . . . . 10.0 110.492 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.38 156.88 35.42 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 16.7 tptm -153.25 -99.03 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.564 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.18 128.53 0.96 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.978 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.5 174.31 9.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 10.0 111.788 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 mm -121.38 92.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.798 HG22 ' HB ' ' B' ' 32' ' ' ILE . 11.7 pt -117.38 126.46 74.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.226 0.536 . . . . 10.0 112.21 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.14 116.43 3.62 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.573 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD23 HD23 ' B' ' 34' ' ' LEU . 80.3 mt -99.68 99.33 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.808 0.337 . . . . 10.0 111.266 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.76 18.72 18.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.106 0.479 . . . . 10.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 43.3 t -62.86 129.02 25.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.738 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.8 166.29 34.39 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.525 -0.845 . . . . 10.0 112.265 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -165.13 151.44 20.31 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.051 -0.82 . . . . 10.0 111.051 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG13 HG23 ' B' ' 39' ' ' VAL . 3.3 p -153.53 129.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.966 0.413 . . . . 10.0 111.167 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.084 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.981 0.419 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.519 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -107.15 94.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -77.55 111.44 13.28 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.14 89.59 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.368 0.604 . . . . 10.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -106.13 105.29 15.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -122.1 121.69 37.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.251 0.548 . . . . 10.0 111.958 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.12 115.24 27.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.183 -0.917 . . . . 10.0 109.619 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.553 ' HB ' HG23 ' C' ' 18' ' ' VAL . 11.0 t -116.53 120.41 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.08 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.442 ' CZ ' HD11 ' B' ' 34' ' ' LEU . 84.1 m-85 -118.23 121.11 39.65 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' C' ' 20' ' ' PHE . 17.3 m-85 -108.14 121.84 45.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -138.53 95.83 3.05 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 3.9 pt-20 -105.61 94.9 5.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.5 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -79.95 89.6 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.758 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.662 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.7 t -87.65 -21.24 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.46 -65.97 1.11 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.194 -1.003 . . . . 10.0 111.475 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 49.4 m -157.72 119.52 3.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.2 m120 -64.63 153.33 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.157 0.504 . . . . 10.0 110.821 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 4.9 tppt? -147.61 -110.97 0.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.628 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -170.24 104.63 0.21 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.928 -1.129 . . . . 10.0 112.973 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -82.62 148.65 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' C' ' 31' ' ' ILE . 14.3 mm -97.73 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.798 ' HB ' HG22 ' A' ' 32' ' ' ILE . 57.8 mt -120.57 120.83 63.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.055 0.455 . . . . 10.0 111.37 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.437 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -116.89 122.81 5.59 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.764 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -109.05 91.64 3.72 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.364 -0.235 . . . . 10.0 110.364 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -105.65 41.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.227 0.537 . . . . 10.0 110.471 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 28.0 t -78.66 109.14 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.378 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.88 140.34 11.5 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.709 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -139.74 135.39 7.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.035 -0.603 . . . . 10.0 111.778 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.805 HG23 HG13 ' A' ' 39' ' ' VAL . 12.1 p -129.59 133.85 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.017 0.437 . . . . 10.0 111.46 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' C' ' 40' ' ' VAL . 67.5 t -131.25 141.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.592 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.801 HG12 HG21 ' J' ' 31' ' ' ILE . 19.5 mt -60.01 129.95 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.587 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.592 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.668 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.998 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.009 0.433 . . . . 10.0 111.276 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.519 HG12 ' HB ' ' B' ' 12' ' ' VAL . 3.8 m -98.92 113.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -83.69 93.56 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.24 102.42 14.46 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.233 0.54 . . . . 10.0 111.965 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -115.63 92.66 3.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.293 -0.867 . . . . 10.0 108.919 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.634 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 84.5 tttt -105.93 119.89 40.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.314 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.485 HD13 HD23 ' C' ' 34' ' ' LEU . 21.3 mt -119.94 111.51 18.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.434 -0.95 . . . . 10.0 108.434 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.553 HG23 ' HB ' ' B' ' 18' ' ' VAL . 10.4 p -131.58 130.73 62.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.597 0.713 . . . . 10.0 112.676 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' D' ' 19' ' ' PHE . 52.3 m-85 -124.72 126.61 45.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.069 -0.968 . . . . 10.0 110.031 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.408 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . 98.0 m-85 -110.08 114.82 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.896 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.78 102.93 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.088 0.47 . . . . 10.0 109.763 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.509 ' HA ' ' HG3' ' B' ' 22' ' ' GLU . 53.0 mt-10 -102.12 129.05 48.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.909 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 1.7 t70 -117.63 124.04 47.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.678 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 17.4 m -128.46 13.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.129 0.49 . . . . 10.0 109.841 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -130.25 -63.47 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.005 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.1 p -175.17 90.63 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.524 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 64.2 t30 -62.56 151.57 37.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.325 0.583 . . . . 10.0 112.43 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 71.9 tttt -132.39 -98.95 0.29 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.307 -0.86 . . . . 10.0 110.402 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -169.28 106.6 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.565 -1.302 . . . . 10.0 113.524 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.42 153.68 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.654 HD12 HG22 ' K' ' 39' ' ' VAL . 7.0 pt -102.59 118.92 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.713 0.768 . . . . 10.0 112.094 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -123.06 101.14 9.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.99 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.54 109.43 3.44 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.642 -0.789 . . . . 10.0 112.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.618 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.3 mp -97.95 79.26 2.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.1 0.476 . . . . 10.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.804 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.5 mpp? -94.64 60.49 2.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.45 0.643 . . . . 10.0 110.118 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.7 t -91.75 120.14 40.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.145 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.856 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -134.85 147.0 18.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.199 -1.001 . . . . 10.0 113.225 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.92 145.49 17.21 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.933 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.2 t -137.7 131.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.769 0.319 . . . . 10.0 111.237 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' B' ' 40' ' ' VAL . 72.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.176 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 40.8 mt-10 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.482 0.182 . . . . 10.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.998 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 4.3 p -131.24 149.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.832 -0.347 . . . . 10.0 111.433 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 134.06 34.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.862 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.04 94.43 3.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.092 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 27.8 pt20 -116.48 132.59 56.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 10.0 111.506 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.634 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 36.9 ttpt -134.65 121.4 20.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.656 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.3 115.16 28.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.538 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.775 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.1 t -122.34 116.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.634 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' C' ' 19' ' ' PHE . 22.9 m-85 -118.68 125.35 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.674 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -108.87 121.62 45.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.85 105.3 8.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -109.04 101.18 10.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.29 118.26 31.05 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' CG2' ' C' ' 24' ' ' VAL . 69.3 t -109.65 -30.77 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.2 -103.71 1.32 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.601 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.474 ' H ' ' HA ' ' E' ' 26' ' ' SER . 0.8 OUTLIER -120.41 106.54 11.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.524 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -63.26 149.9 44.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.828 0.347 . . . . 10.0 110.874 -179.503 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 27.5 tttm -135.43 -84.71 0.39 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.836 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.87 102.81 0.16 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.021 -1.085 . . . . 10.0 113.596 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.707 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -87.02 161.88 17.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 1.039 HD11 HG23 ' E' ' 31' ' ' ILE . 2.0 pt -110.72 115.42 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.862 0.839 . . . . 10.0 111.473 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.08 108.69 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.771 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.875 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.8 110.45 3.41 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.663 -0.779 . . . . 10.0 112.207 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.2 mm? -97.54 84.62 3.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.611 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 10.7 mtm -100.54 71.84 1.54 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.171 0.51 . . . . 10.0 110.336 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.491 ' HB ' HG13 ' C' ' 36' ' ' VAL . 23.9 t -98.97 123.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.908 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.966 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -138.88 143.53 14.25 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.08 -1.057 . . . . 10.0 112.687 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 133.95 4.7 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.867 HG23 HD11 ' M' ' 31' ' ' ILE . 12.1 m -131.19 141.15 46.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.033 0.444 . . . . 10.0 112.191 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' E' ' 40' ' ' VAL . 39.5 t -131.45 132.08 62.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.344 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.17 131.5 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 10.0 111.096 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.657 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.842 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 4.4 mp0 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.624 0.726 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.43 142.44 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.996 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -90.42 106.93 18.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 106.65 18.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.7 tp60 -118.91 103.97 10.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -118.31 126.04 51.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.239 0.542 . . . . 10.0 111.759 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' F' ' 17' ' ' LEU . 13.0 mt -119.83 111.7 18.31 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.5 OUTLIER -122.71 119.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.321 0.581 . . . . 10.0 112.05 -179.04 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -120.64 124.0 44.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.595 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 108.94 9.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.044 0.45 . . . . 10.0 110.146 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.55 132.95 55.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.87 150.72 30.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.454 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 2.1 t -138.54 10.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.669 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' D' ' 25' ' ' GLY . . . -142.19 -57.81 0.03 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.249 -0.977 . . . . 10.0 114.136 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.474 ' HA ' ' H ' ' D' ' 26' ' ' SER . 0.3 OUTLIER -168.69 124.45 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.014 0.407 . . . . 10.0 110.853 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -86.5 164.2 17.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 111.374 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.49 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 12.9 mttt -142.48 -97.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.378 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.707 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -172.42 103.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.964 -1.112 . . . . 10.0 113.631 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.62 149.72 27.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 1.039 HG23 HD11 ' D' ' 31' ' ' ILE . 7.9 mt -103.67 88.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.37 117.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.212 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.502 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -123.46 106.05 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.101 -1.047 . . . . 10.0 113.361 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -96.41 88.86 4.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -105.07 72.23 0.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.591 0.71 . . . . 10.0 110.451 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' F' ' 36' ' ' VAL . 31.3 m -101.38 133.72 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.609 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -138.41 152.52 22.02 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.413 -0.899 . . . . 10.0 112.729 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 128.93 4.19 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.927 HG21 ' HA3' ' M' ' 33' ' ' GLY . 55.2 t -126.29 117.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.061 0.458 . . . . 10.0 111.828 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' D' ' 40' ' ' VAL . 60.7 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.814 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.783 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 2.3 tp10 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.315 -0.254 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.983 ' HB ' HG12 ' G' ' 12' ' ' VAL . 7.2 t -89.82 91.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -71.92 126.68 30.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.431 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -125.3 97.24 5.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.175 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 8.1 tt0 -112.89 115.75 28.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -130.37 123.7 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.382 0.61 . . . . 10.0 112.385 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' E' ' 17' ' ' LEU . 7.3 mp -113.76 117.24 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.057 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.941 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.2 t -119.96 118.44 56.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -120.11 123.19 42.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -107.11 129.11 54.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.153 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.19 109.0 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.801 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -121.15 100.21 6.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.252 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.53 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 35.7 m-20 -103.16 104.3 14.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.351 0.596 . . . . 10.0 109.57 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.657 HG22 ' HA ' ' G' ' 24' ' ' VAL . 17.2 m -93.15 7.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.017 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' G' ' 25' ' ' GLY . . . -117.91 -90.91 1.46 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.023 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -137.83 100.35 4.16 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.53 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.77 142.27 58.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.179 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -124.38 -70.29 0.76 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 144.69 106.6 0.53 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 119.831 -1.176 . . . . 10.0 114.277 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -86.06 155.28 20.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.657 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 18.0 tt -104.93 111.82 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.705 0.764 . . . . 10.0 111.717 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.558 HG12 HD12 ' G' ' 32' ' ' ILE . 38.3 mt -114.71 114.26 46.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.676 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.81 111.09 3.44 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.282 -0.727 . . . . 10.0 111.282 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.2 mm? -95.09 72.61 3.38 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.456 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -84.42 70.51 10.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.815 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.2 t -103.31 110.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.243 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.485 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -120.81 146.63 17.57 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.538 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 142.54 13.53 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.983 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.8 t -134.96 135.46 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 122.095 0.158 . . . . 10.0 110.631 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.452 HG23 HG13 ' G' ' 40' ' ' VAL . 7.5 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.619 0.247 . . . . 10.0 110.537 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.983 HG12 ' HB ' ' F' ' 12' ' ' VAL . 12.7 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.097 0.475 . . . . 10.0 112.112 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -92.65 100.21 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 103.87 14.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.11 0.481 . . . . 10.0 112.072 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 4.2 tp60 -106.55 96.02 6.16 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.74 110.48 21.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.478 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' H' ' 17' ' ' LEU . 15.3 mt -118.1 113.83 22.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.941 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -131.67 131.06 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.3 127.14 42.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.66 119.35 37.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.774 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 117.6 30.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.8 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -120.57 115.09 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.783 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.415 ' O ' HG22 ' F' ' 24' ' ' VAL . 10.3 t70 -110.98 125.51 53.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.898 0.38 . . . . 10.0 110.343 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.657 ' HA ' HG22 ' F' ' 24' ' ' VAL . 2.9 t -114.7 9.5 7.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.094 0.474 . . . . 10.0 110.406 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' F' ' 25' ' ' GLY . . . -139.81 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.99 -1.1 . . . . 10.0 113.866 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -150.39 103.2 3.12 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.633 -0.334 . . . . 10.0 111.184 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.729 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 21.0 t-20 -62.06 146.86 49.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.364 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' H' ' 28' ' ' LYS . 25.4 tttp -126.18 -84.77 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 169.35 104.24 0.17 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 119.855 -1.164 . . . . 10.0 113.605 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' CA ' ' H' ' 29' ' ' GLY . . . -84.97 154.67 22.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.547 HD12 HG23 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -101.28 94.41 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.558 HD12 HG12 ' F' ' 32' ' ' ILE . 60.2 mt -104.52 105.14 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 10.0 110.842 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -109.69 92.97 0.73 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.607 HD21 HD13 ' G' ' 17' ' ' LEU . 14.5 tp -87.88 69.93 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 10.0 110.077 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HB2' ' H' ' 35' ' ' MET . 8.6 ptp -81.79 83.36 7.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.8 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.732 HG13 ' HB ' ' H' ' 36' ' ' VAL . 62.8 t -101.72 122.83 54.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.43 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' SD ' ' O' ' 35' ' ' MET . . . -127.26 141.84 12.99 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.52 -0.847 . . . . 10.0 112.172 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.27 120.86 1.21 Allowed Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.577 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.983 HG12 ' HB ' ' F' ' 39' ' ' VAL . 34.7 m -126.85 133.76 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.369 0.604 . . . . 10.0 111.329 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.452 HG13 HG23 ' F' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.631 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -56.25 133.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 123.437 0.461 . . . . 10.0 109.969 178.301 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.69 133.61 53.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -115.65 115.16 25.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.59 112.74 19.3 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.002 0.429 . . . . 10.0 111.459 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -119.44 111.26 17.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.491 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD23 ' G' ' 17' ' ' LEU . 7.2 mp -116.82 111.05 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.307 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -120.28 125.38 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.553 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.01 133.54 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -113.54 127.72 56.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.822 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.05 83.07 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.215 0.531 . . . . 10.0 109.857 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.22 160.41 14.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.217 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -154.67 138.05 15.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.401 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.48 20.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.29 -73.41 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -147.18 94.65 2.43 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.729 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 25.0 t-20 -52.47 126.36 19.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 0.7 OUTLIER -104.82 -90.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.053 0.454 . . . . 10.0 110.366 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.419 ' CA ' ' HA ' ' G' ' 30' ' ' ALA . . . 160.61 113.57 0.32 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.669 -0.777 . . . . 10.0 112.319 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.09 158.12 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.868 0.366 . . . . 10.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.547 HG23 HD12 ' G' ' 31' ' ' ILE . 1.7 mp -97.18 99.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.39 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -110.17 107.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.812 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.52 77.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.753 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.86 109.93 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.938 0.399 . . . . 10.0 110.701 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.535 ' HB2' ' HG3' ' G' ' 35' ' ' MET . 12.6 ttm -112.1 113.36 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.732 ' HB ' HG13 ' G' ' 36' ' ' VAL . 82.6 t -98.59 123.71 51.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.6 90.6 0.59 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.022 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.37 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' J' ' 11' ' ' GLU . 2.7 mp0 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.45 178.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.545 0.688 . . . . 10.0 112.534 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -101.59 113.48 26.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.662 -1.154 . . . . 10.0 109.298 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -99.62 101.65 12.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.74 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.57 117.76 35.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.595 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -121.61 115.51 22.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.072 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mp -128.35 106.21 8.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.91 134.09 60.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.262 0.553 . . . . 10.0 112.384 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.68 109.82 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.662 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -92.59 97.52 10.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 10.0 110.749 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.71 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.399 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 0.3 OUTLIER -84.47 164.73 18.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.203 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.87 108.02 6.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.105 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.579 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 14.6 t -136.46 -28.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.91 0.386 . . . . 10.0 110.723 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -112.69 -157.79 13.3 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.214 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 1.2 m -65.87 124.8 23.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.787 0.293 . . . . 10.0 110.42 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' J' ' 27' ' ' ASN . 1.0 OUTLIER -77.92 150.61 34.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.279 . . . . 10.0 111.675 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.432 ' HD3' ' HG3' ' J' ' 28' ' ' LYS . 15.9 mtpt -141.58 -90.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.29 121.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.086 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.75 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -78.95 168.94 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.039 0.447 . . . . 10.0 112.088 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.592 HD13 ' H ' ' B' ' 42' ' ' ALA . 16.1 mt -112.33 88.53 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.401 -0.963 . . . . 10.0 108.401 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.78 131.1 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 10.0 111.852 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.45 114.01 2.36 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.174 -0.771 . . . . 10.0 111.174 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -105.32 103.99 13.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.731 0.301 . . . . 10.0 111.518 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -116.97 16.61 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.243 0.544 . . . . 10.0 109.583 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' J' ' 36' ' ' VAL . 41.0 t -62.7 133.5 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.089 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . 0.523 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -170.03 -173.69 37.63 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.79 -0.719 . . . . 10.0 111.913 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 160.87 24.38 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.27 -0.732 . . . . 10.0 111.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.542 HG13 HG23 ' J' ' 39' ' ' VAL . 8.1 p -152.33 141.63 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.82 0.31 . . . . 10.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.791 HG12 ' HB ' ' J' ' 40' ' ' VAL . 4.1 m -132.71 -173.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 pt -88.06 125.36 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.212 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.483 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HG3' ' I' ' 11' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.936 0.398 . . . . 10.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.716 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.8 t -102.97 107.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -83.6 118.46 23.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.24 87.98 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.847 0.356 . . . . 10.0 110.257 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.2 103.62 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.997 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -114.17 108.68 17.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.697 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' K' ' 17' ' ' LEU . 6.5 mp -110.62 106.36 15.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.841 ' HB ' HG12 ' K' ' 18' ' ' VAL . 28.0 t -115.16 118.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.506 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.435 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 79.7 m-85 -113.95 127.62 56.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.625 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -113.27 126.86 55.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.572 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.49 93.56 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.947 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 6.7 pt-20 -100.5 93.43 5.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -78.35 85.73 4.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.968 179.035 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.579 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 47.5 t -83.12 -26.07 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.16 -67.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.011 -1.09 . . . . 10.0 111.433 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 0.0 OUTLIER -156.75 121.91 4.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' I' ' 27' ' ' ASN . 8.4 m120 -65.73 156.73 32.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.35 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.746 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.0 OUTLIER -151.76 -116.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.208 178.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.75 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -156.31 87.99 0.12 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 119.848 -1.168 . . . . 10.0 114.009 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.504 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -75.68 141.24 42.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' K' ' 31' ' ' ILE . 1.5 tt -101.82 110.34 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 10.0 111.908 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -117.57 117.89 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.321 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.74 116.1 3.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.638 -0.791 . . . . 10.0 111.352 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.435 HD21 ' CZ ' ' J' ' 19' ' ' PHE . 40.8 mt -107.08 100.22 9.72 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.645 -0.327 . . . . 10.0 111.141 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mmt -107.65 34.33 3.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.192 0.52 . . . . 10.0 110.113 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 22.3 t -72.29 118.7 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.918 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -151.61 137.32 5.92 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.214 -0.993 . . . . 10.0 112.977 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.87 139.0 10.58 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.567 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.59 HG13 HG23 ' K' ' 39' ' ' VAL . 3.6 p -130.0 127.89 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.95 0.405 . . . . 10.0 110.996 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.791 ' HB ' HG12 ' I' ' 40' ' ' VAL . 62.1 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.487 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 31.4 mm-40 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.658 0.265 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -109.07 114.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 10.0 111.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -79.73 94.07 5.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -84.91 105.67 15.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.423 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -122.81 89.63 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.675 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -105.77 124.48 49.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.088 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.613 HD13 HD23 ' K' ' 34' ' ' LEU . 11.9 mt -123.41 111.71 16.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.408 -0.814 . . . . 10.0 108.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.841 HG12 ' HB ' ' J' ' 18' ' ' VAL . 5.5 m -124.86 130.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.313 0.577 . . . . 10.0 112.425 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -125.84 118.69 26.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.202 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -107.36 109.05 20.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.879 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.64 109.88 19.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 50.8 mt-10 -112.96 117.1 31.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.232 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -108.06 129.95 55.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.704 -0.225 . . . . 10.0 110.538 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 6.8 m -131.83 17.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.127 0.489 . . . . 10.0 109.92 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.4 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.241 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 89.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.536 0.334 . . . . 10.0 110.685 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 58.8 t30 -62.38 151.29 37.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 10.0 111.863 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.746 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 42.0 tttp -131.66 -92.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.067 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -170.7 104.52 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.592 -1.289 . . . . 10.0 113.697 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 139.46 34.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.913 ' HA ' HG23 ' J' ' 31' ' ' ILE . 0.3 OUTLIER -94.72 110.74 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 10.0 112.708 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.23 113.52 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.984 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . 0.933 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -117.76 119.68 4.49 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.598 -0.811 . . . . 10.0 112.735 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.675 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 7.3 mp -101.43 88.19 3.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 10.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.856 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.8 mpp? -94.57 61.15 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.742 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 24.0 t -95.3 115.14 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.033 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . 0.804 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -140.49 149.51 20.97 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.727 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.68 150.96 23.22 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.73 -0.748 . . . . 10.0 112.077 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.704 HG13 ' HB ' ' L' ' 39' ' ' VAL . 4.8 p -136.22 126.4 40.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 10.0 110.547 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.455 HG13 ' HB ' ' L' ' 40' ' ' VAL . 44.6 t -123.45 142.79 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.098 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . 0.623 ' HA ' HG21 ' C' ' 31' ' ' ILE . 20.4 tt -81.32 134.45 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.95 0.405 . . . . 10.0 111.308 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.257 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' M' ' 11' ' ' GLU . 81.2 mt-10 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 111.519 0.192 . . . . 10.0 111.519 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.535 HG22 ' H ' ' L' ' 13' ' ' HIS . 1.5 p -118.33 166.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . 0.535 ' H ' HG22 ' L' ' 12' ' ' VAL . 82.5 t60 -103.11 133.74 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.184 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -122.59 106.36 10.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -116.67 121.4 41.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.098 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -130.89 117.04 18.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 10.0 111.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.3 115.78 28.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.36 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.898 ' HB ' HG12 ' M' ' 18' ' ' VAL . 18.6 t -122.4 115.39 45.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.486 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -119.12 124.37 46.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -109.66 124.76 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.53 101.6 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -107.21 102.34 11.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.28 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.493 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.0 OUTLIER -96.63 98.24 10.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.125 -179.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 96.6 t -82.05 -32.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.04 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.53 -140.86 11.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.199 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -81.52 127.4 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . 0.622 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.6 OUTLIER -82.64 156.51 23.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 3.0 ttpt -136.78 -81.69 0.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.11 100.67 0.16 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.641 -1.266 . . . . 10.0 113.942 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -89.16 162.26 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.079 -1.082 . . . . 10.0 108.079 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.846 HD11 ' HB ' ' D' ' 39' ' ' VAL . 3.4 tt -121.17 124.2 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.232 -0.587 . . . . 10.0 112.207 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -120.39 110.5 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.263 -0.881 . . . . 10.0 109.81 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . 0.761 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -100.71 109.17 3.61 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.675 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -94.89 78.06 3.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.828 0.347 . . . . 10.0 110.7 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.966 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 4.9 mpp? -90.72 77.83 6.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.285 0.564 . . . . 10.0 109.784 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 23.9 t -105.83 125.58 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.09 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -140.31 158.51 25.95 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.341 -0.933 . . . . 10.0 112.727 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.71 138.54 5.48 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 1.052 HG13 HG12 ' M' ' 39' ' ' VAL . 0.3 OUTLIER -138.07 136.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.192 0.52 . . . . 10.0 112.144 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.455 ' HB ' HG13 ' K' ' 40' ' ' VAL . 69.5 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.079 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . 0.49 ' HB3' ' HG3' ' L' ' 11' ' ' GLU . 71.3 mm-40 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.167 0.508 . . . . 10.0 111.251 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 20.5 m -115.11 138.32 45.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.343 0.592 . . . . 10.0 112.284 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -79.67 111.43 15.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.873 -1.158 . . . . 10.0 107.873 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.07 97.41 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 10.0 111.028 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -104.3 108.88 20.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.609 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . 0.559 ' HB3' ' HG2' ' N' ' 16' ' ' LYS . 82.6 tttt -122.66 121.53 36.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.273 0.559 . . . . 10.0 111.59 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -121.34 114.16 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.4 OUTLIER -126.2 124.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.307 0.575 . . . . 10.0 112.35 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . 0.607 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 20.2 m-85 -123.93 128.74 49.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.448 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -117.95 110.43 17.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.267 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.8 117.47 31.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -126.93 114.66 18.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.473 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.32 136.68 47.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.493 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.683 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -124.01 16.63 4.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.679 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.86 -66.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.897 -1.144 . . . . 10.0 113.776 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 33.2 m -158.16 98.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.582 -0.364 . . . . 10.0 110.772 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.16 140.89 43.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.317 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' L' ' 28' ' ' LYS . 9.0 mttp -114.16 -100.47 0.43 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.36 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -164.16 90.51 0.1 Allowed Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.801 -1.19 . . . . 10.0 113.654 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -80.0 137.06 36.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.867 HD11 HG23 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -96.08 107.02 19.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.385 0.612 . . . . 10.0 111.429 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.09 128.61 67.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.725 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . 0.927 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -132.07 121.64 3.09 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.293 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.4 mp -108.15 98.5 8.04 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.557 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.8 mtm -105.06 93.04 4.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.484 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' N' ' 36' ' ' VAL . 2.1 p -127.12 121.25 57.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.281 0.563 . . . . 10.0 111.057 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -144.68 172.44 25.61 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.114 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.19 9.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.076 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . 1.052 HG12 HG13 ' L' ' 39' ' ' VAL . 32.8 m -128.35 132.13 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.805 HG12 ' HB ' ' N' ' 40' ' ' VAL . 27.3 m -148.0 165.89 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.19 0.519 . . . . 10.0 112.05 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . 0.455 HD11 HG21 ' D' ' 31' ' ' ILE . 4.5 mm -138.64 113.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.568 -179.564 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.369 0.604 . . . . 10.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.457 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.5 OUTLIER -76.29 140.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.667 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.27 136.46 54.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.792 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.47 71.65 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.229 -0.896 . . . . 10.0 108.947 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . 0.74 HE22 HG11 ' N' ' 36' ' ' VAL . 23.1 tt0 -86.17 115.13 23.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . 0.559 ' HG2' ' HB3' ' M' ' 16' ' ' LYS . 17.4 mttt -129.31 113.56 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.263 0.554 . . . . 10.0 110.928 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.7 HD22 HD13 ' N' ' 34' ' ' LEU . 6.0 mp -113.03 129.26 56.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.726 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 3.3 t -127.18 119.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.905 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -119.6 124.81 47.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.724 0.297 . . . . 10.0 110.592 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -106.89 124.32 49.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.687 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 93.36 3.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.149 -0.685 . . . . 10.0 109.149 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -106.13 99.53 9.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.33 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.538 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 26.6 m-20 -97.01 105.95 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.233 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 85.6 t -82.35 -26.64 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.273 0.559 . . . . 10.0 109.925 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . 0.438 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.89 -86.56 1.88 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.201 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.6 m -162.4 128.88 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.538 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.8 p30 -92.12 158.8 15.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 10.0 111.172 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 1.036 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 32.5 mttm -116.8 -75.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.434 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -168.82 80.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 119.92 -1.133 . . . . 10.0 113.73 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . 0.441 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -85.21 132.51 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.708 HD12 HG13 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -97.33 119.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.57 0.7 . . . . 10.0 112.148 -179.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.566 HG12 HD12 ' O' ' 32' ' ' ILE . 74.1 mt -112.79 101.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.972 -1.013 . . . . 10.0 108.474 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . 0.682 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -108.25 117.5 5.1 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.977 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.7 HD13 HD22 ' N' ' 17' ' ' LEU . 49.4 mt -109.19 107.36 17.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.554 ' O ' ' HA ' ' O' ' 35' ' ' MET . 5.8 mtm -115.63 101.19 8.62 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.74 HG11 HE22 ' N' ' 15' ' ' GLN . 1.6 p -132.29 131.03 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.127 0.489 . . . . 10.0 111.669 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' M' ' 37' ' ' GLY . . . -147.03 136.99 6.4 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.648 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.1 154.38 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.783 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 20.1 m -135.24 132.77 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.967 0.413 . . . . 10.0 111.904 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.805 ' HB ' HG12 ' M' ' 40' ' ' VAL . 69.3 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.78 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.082 0.468 . . . . 10.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -69.96 158.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 10.0 112.343 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -99.54 100.36 11.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.6 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -90.65 111.17 22.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.428 . . . . 10.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.0 105.07 11.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.776 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 1.7 tppp? -110.97 104.17 12.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.689 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.626 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -109.67 115.09 29.24 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.654 -0.869 . . . . 10.0 108.654 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 6.4 p -134.99 125.44 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 112.535 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.4 132.11 55.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.292 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.61 109.13 20.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.351 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.97 97.63 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.064 0.459 . . . . 10.0 109.836 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.05 127.7 56.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.911 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.3 t70 -111.94 145.57 39.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.647 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.556 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.1 t -126.78 8.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 10.0 110.439 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.34 -64.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.431 -0.89 . . . . 10.0 113.186 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.71 100.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.855 0.359 . . . . 10.0 110.838 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.576 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 38.0 t30 -78.86 122.69 26.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.61 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 1.036 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 28.3 tttm -88.37 -72.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.62 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 147.27 124.62 1.53 Allowed Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.297 -0.954 . . . . 10.0 112.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -105.17 168.93 8.74 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.338 -0.615 . . . . 10.0 109.338 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' P' ' 31' ' ' ILE . 2.6 pt -103.73 94.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.909 0.861 . . . . 10.0 110.85 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.566 HD12 HG12 ' N' ' 32' ' ' ILE . 61.4 mt -90.23 111.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . 0.856 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.53 111.86 1.95 Allowed Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.182 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.11 101.39 10.19 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.554 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.6 mtm -113.24 98.38 7.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.176 0.512 . . . . 10.0 110.166 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.4 m -125.77 159.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.03 -179.28 48.01 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.391 -0.909 . . . . 10.0 112.09 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -170.66 152.58 19.06 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.459 -0.877 . . . . 10.0 112.939 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' P' ' 39' ' ' VAL . 2.4 m -126.81 145.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.585 HG13 HG22 ' N' ' 40' ' ' VAL . 2.7 p . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 10.0 111.07 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -111.54 97.69 6.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.851 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -115.68 119.1 34.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 14.5 ptmt -136.0 117.18 14.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.106 0.479 . . . . 10.0 111.627 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.4 mp -113.73 105.06 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.92 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.14 117.63 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.074 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -121.48 138.43 54.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.2 128.73 56.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.447 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.39 72.26 1.43 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.173 0.511 . . . . 10.0 109.962 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.09 130.15 53.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 6.1 t70 -133.14 125.97 30.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 10.0 110.262 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.56 -5.2 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.342 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.99 -64.44 0.37 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.507 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 20.2 m -157.05 113.64 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.576 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.1 m120 -73.95 77.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -55.18 -54.09 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.096 0.474 . . . . 10.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 91.96 132.78 5.83 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.73 -0.747 . . . . 10.0 112.783 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.74 -152.41 0.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.285 -0.265 . . . . 10.0 110.285 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.642 ' HA ' HG13 ' O' ' 31' ' ' ILE . 45.9 pt -104.37 125.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.898 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' O' ' 32' ' ' ILE . 25.7 mt -126.53 88.78 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.66 108.31 2.62 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.571 -0.824 . . . . 10.0 113.076 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' P' ' 34' ' ' LEU . 3.2 mm? -108.94 111.38 23.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.665 0.269 . . . . 10.0 110.441 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' O' ' 35' ' ' MET . 2.9 mpt? -115.77 103.57 10.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.94 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG12 ' O' ' 36' ' ' VAL . 40.5 t -126.88 114.82 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.692 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.468 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -131.45 156.6 21.92 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.081 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -138.14 154.08 22.66 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.409 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.487 ' HA ' HG22 ' O' ' 39' ' ' VAL . 18.5 m -130.63 131.24 64.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 10.0 111.034 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 29.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.703 -0.665 . . . . 10.0 110.379 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -87.53 109.89 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.61 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 51.9 m170 -98.27 93.27 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 28.6 tt0 -106.87 126.77 52.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.861 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -136.23 123.23 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.91 116.79 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG23 HG13 ' B' ' 18' ' ' VAL . 1.3 m -129.46 127.68 65.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.33 0.586 . . . . 10.0 112.169 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -112.14 100.54 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.33 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.84 97.68 11.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.582 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.57 131.78 47.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.083 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.973 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.4 mm-40 -88.65 153.56 21.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.998 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -128.8 94.48 3.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.608 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.801 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.4 t -128.33 -41.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.789 0.328 . . . . 10.0 111.068 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -96.62 -159.01 31.69 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.202 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -63.35 120.51 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.389 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.78 148.18 25.8 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.677 0.992 . . . . 10.0 113.677 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -160.78 166.82 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.169 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' O ' ' HA3' ' B' ' 29' ' ' GLY . . . -101.48 155.92 18.95 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.241 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.1 137.67 46.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD13 ' B' ' 31' ' ' ILE . 21.5 mm -92.41 93.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.083 0.468 . . . . 10.0 110.253 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.868 HG22 ' HB ' ' B' ' 32' ' ' ILE . 7.8 pt -120.53 145.98 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.726 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' HA3' HG11 ' I' ' 39' ' ' VAL . . . -131.97 116.35 1.84 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.545 -0.622 . . . . 10.0 111.545 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 HD23 ' B' ' 34' ' ' LEU . 52.0 mt -100.01 94.11 6.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 10.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -107.23 23.29 14.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.474 0.654 . . . . 10.0 109.675 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' B' ' 36' ' ' VAL . 16.5 m -69.79 139.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 10.0 111.653 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -172.39 161.27 32.87 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.424 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.67 126.24 1.96 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.798 HG13 HG23 ' B' ' 39' ' ' VAL . 3.7 p -122.71 123.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.056 0.455 . . . . 10.0 111.02 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.31 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.046 0.451 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.862 ' HB ' HG12 ' C' ' 12' ' ' VAL . 4.0 t -106.91 90.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -72.4 116.77 13.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.463 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.61 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 21.2 m170 -112.38 92.88 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.2 tt0 -113.78 109.03 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.983 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.59 122.74 38.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 10.0 111.839 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.06 105.53 13.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.973 -1.012 . . . . 10.0 109.107 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.527 HG13 HG23 ' A' ' 18' ' ' VAL . 10.5 t -111.37 120.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.6 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.14 121.53 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.07 119.66 40.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.374 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.67 100.07 5.18 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.973 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 30.5 mt-10 -98.09 92.84 5.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -83.17 83.87 7.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.033 0.444 . . . . 10.0 110.625 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.801 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.2 t -89.06 -25.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.027 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.26 -64.59 1.39 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.118 -1.039 . . . . 10.0 111.118 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.478 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 96.3 p -162.69 121.7 2.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.618 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 9.1 m120 -60.88 146.83 45.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.596 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.689 ' HG2' ' HA ' ' C' ' 28' ' ' LYS . 19.9 tptt -144.74 -36.25 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 29' ' ' GLY . . . 94.09 136.8 8.31 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.526 -0.845 . . . . 10.0 111.877 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 162.03 13.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.676 0.274 . . . . 10.0 111.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.47 HD13 ' HB ' ' A' ' 31' ' ' ILE . 22.7 mm -101.24 92.81 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.892 -1.151 . . . . 10.0 107.892 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.868 ' HB ' HG22 ' A' ' 32' ' ' ILE . 39.7 mt -116.31 126.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.368 0.604 . . . . 10.0 111.978 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.32 123.24 5.59 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.465 -0.788 . . . . 10.0 111.564 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.494 HD23 HD23 ' A' ' 34' ' ' LEU . 3.2 mm? -107.72 100.92 10.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -110.21 32.39 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 10.0 110.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HB ' HG12 ' A' ' 36' ' ' VAL . 24.0 t -72.79 101.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.787 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -133.68 143.73 15.49 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.315 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.43 146.49 17.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.027 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.798 HG23 HG13 ' A' ' 39' ' ' VAL . 11.5 p -134.03 134.52 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.969 0.414 . . . . 10.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.702 HG22 ' HB ' ' C' ' 40' ' ' VAL . 79.6 t -133.9 133.23 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.88 ' HB ' HG21 ' J' ' 31' ' ' ILE . 16.4 tt -67.83 129.34 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.957 0.408 . . . . 10.0 111.1 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.882 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.709 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.305 0.574 . . . . 10.0 111.258 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.862 HG12 ' HB ' ' B' ' 12' ' ' VAL . 2.8 m -107.54 110.77 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.125 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -77.58 99.55 5.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . 0.527 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 24.2 m170 -91.66 107.52 19.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.325 0.584 . . . . 10.0 111.617 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.52 95.45 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.265 -0.879 . . . . 10.0 109.033 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.508 ' HD3' ' HD2' ' D' ' 16' ' ' LYS . 87.9 tttt -108.4 121.96 46.03 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.47 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.449 HD23 ' HB2' ' D' ' 17' ' ' LEU . 1.4 mt -120.25 114.25 21.62 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 7.2 p -133.13 126.96 54.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.598 0.713 . . . . 10.0 112.283 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.954 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.39 110.9 22.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.97 103.73 10.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -108.48 112.52 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.482 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.761 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.4 OUTLIER -104.18 130.16 51.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.572 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.5 m -134.31 18.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 10.0 109.563 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.38 -66.15 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.338 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -170.62 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.086 0.554 . . . . 10.0 109.719 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.554 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 60.6 t30 -58.18 144.31 41.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.121 0.486 . . . . 10.0 112.145 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.689 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 56.0 tttp -132.09 -13.63 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.92 148.8 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.495 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.405 ' HB2' ' HA2' ' D' ' 29' ' ' GLY . . . -129.26 166.24 19.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.774 HD12 HG22 ' K' ' 39' ' ' VAL . 1.5 pt -100.89 121.16 51.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.517 0.675 . . . . 10.0 110.694 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.4 mt -129.98 111.64 21.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.822 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.64 117.66 4.54 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.625 -0.797 . . . . 10.0 111.713 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.6 mp -104.78 87.07 2.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.954 0.407 . . . . 10.0 110.494 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' D' ' 35' ' ' MET . 0.8 OUTLIER -95.15 50.96 1.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.995 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 22.1 t -83.58 108.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.082 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -126.53 142.53 13.65 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.863 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.65 152.34 19.25 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.793 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.1 t -143.2 132.93 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.877 0.37 . . . . 10.0 111.262 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.702 ' HB ' HG22 ' B' ' 40' ' ' VAL . 68.9 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.81 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.709 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.2 p -131.86 164.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . 0.423 ' H ' HG22 ' D' ' 12' ' ' VAL . 3.6 t60 -88.37 133.24 34.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 10.0 111.68 -178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . 0.527 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 10.1 m80 -129.21 89.53 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.675 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -120.55 135.7 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.696 0.628 . . . . 10.0 112.696 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.508 ' HD2' ' HD3' ' C' ' 16' ' ' LYS . 37.1 ttpt -136.34 124.11 22.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.766 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.449 ' HB2' HD23 ' C' ' 17' ' ' LEU . 7.0 mp -110.64 114.25 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.238 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.792 ' HB ' HG12 ' E' ' 18' ' ' VAL . 18.1 t -119.56 116.54 51.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.478 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -115.13 124.77 52.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.677 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -107.36 121.28 44.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.58 99.09 5.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -104.92 93.38 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.79 115.86 24.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.482 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.493 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.1 t -110.16 -29.82 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.802 0.334 . . . . 10.0 111.491 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.95 -80.95 1.35 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.257 -0.973 . . . . 10.0 112.81 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -149.86 115.15 5.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.761 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -64.4 150.97 45.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.663 ' HA ' ' HD3' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -138.2 -40.32 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.685 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' C' ' 30' ' ' ALA . . . 111.63 114.31 3.41 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.29 -0.957 . . . . 10.0 114.203 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.582 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -98.71 172.39 7.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 1.039 HD11 HG23 ' E' ' 31' ' ' ILE . 4.7 pt -113.48 115.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.761 0.791 . . . . 10.0 111.065 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.42 HG12 HD11 ' E' ' 32' ' ' ILE . 27.2 mt -116.89 117.64 56.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.018 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.759 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -112.72 112.5 3.0 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.056 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.4 mm? -100.16 74.1 1.75 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 10.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.715 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 9.3 mtm -89.23 69.12 8.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 34.9 t -100.1 125.37 53.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.997 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.37 155.48 25.21 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.645 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' E' ' 38' ' ' GLY . . . -161.39 132.96 3.0 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.655 -0.783 . . . . 10.0 111.844 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 1.002 HG23 HD11 ' M' ' 31' ' ' ILE . 6.3 m -134.99 149.92 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.572 0.225 . . . . 10.0 111.372 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.611 HG23 ' HB ' ' E' ' 40' ' ' VAL . 12.1 p -149.89 142.35 17.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.195 0.521 . . . . 10.0 111.475 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.404 HD12 ' O ' ' M' ' 29' ' ' GLY . 6.7 tt -72.02 138.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.843 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.299 179.517 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' F' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.614 0.721 . . . . 10.0 110.539 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -90.29 157.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.897 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.92 97.48 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.86 111.52 22.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.061 0.458 . . . . 10.0 110.543 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -124.68 103.83 8.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.997 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -114.31 121.36 43.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.53 HD13 HD23 ' E' ' 34' ' ' LEU . 25.1 mt -119.87 113.61 20.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.4 OUTLIER -126.53 125.59 67.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -178.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -121.28 118.4 29.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.407 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -107.83 112.73 25.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.69 0.281 . . . . 10.0 110.883 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -125.78 110.73 14.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.34 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -118.66 133.49 55.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.895 0.378 . . . . 10.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.457 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.3 OUTLIER -114.25 146.9 39.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.605 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.426 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.4 t -137.69 6.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.637 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.52 -68.93 0.07 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.482 -0.866 . . . . 10.0 113.251 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -163.41 115.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.178 0.489 . . . . 10.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.52 159.58 34.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.54 0.686 . . . . 10.0 112.039 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -136.09 -116.76 0.17 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.335 178.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -153.87 93.39 0.14 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.15 -1.024 . . . . 10.0 113.015 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.538 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -73.99 149.08 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 1.039 HG23 HD11 ' D' ' 31' ' ' ILE . 9.8 mt -111.7 90.32 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.42 HD11 HG12 ' D' ' 32' ' ' ILE . 11.3 pt -112.61 114.73 47.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 10.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.41 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -117.7 109.58 1.87 Allowed Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.484 -0.865 . . . . 10.0 113.168 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.767 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 6.8 mp -93.82 82.91 4.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ptp -97.7 75.17 2.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.537 0.684 . . . . 10.0 110.646 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.667 HG12 ' HB ' ' F' ' 36' ' ' VAL . 27.2 m -106.78 136.52 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.991 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.895 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -150.78 140.55 7.99 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.155 -1.022 . . . . 10.0 113.033 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' D' ' 38' ' ' GLY . . . -127.01 141.19 12.44 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 1.077 HG21 ' HA3' ' M' ' 33' ' ' GLY . 39.4 t -131.5 123.68 53.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.949 0.404 . . . . 10.0 111.621 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' D' ' 40' ' ' VAL . 95.2 t . . . . . 0 C--O 1.237 0.417 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.911 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.067 0.461 . . . . 10.0 110.246 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.766 ' HB ' HG12 ' G' ' 12' ' ' VAL . 8.8 t -76.0 109.1 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' F' ' 15' ' ' GLN . 7.9 t60 -88.49 118.69 28.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.57 0.224 . . . . 10.0 110.73 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -111.14 86.57 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.148 0.499 . . . . 10.0 110.143 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' F' ' 13' ' ' HIS . 4.6 tt0 -103.61 114.72 29.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.385 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' HG2' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -136.86 120.79 17.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.367 0.603 . . . . 10.0 112.304 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.8 mp -115.82 119.12 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.628 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.788 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.5 t -121.39 121.39 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.391 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.4 127.35 53.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.06 122.23 46.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' E' ' 21' ' ' ALA . . . -131.83 95.39 3.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.659 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -108.37 101.86 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.377 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.538 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 72.6 m-20 -102.55 111.39 23.68 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.5 HG22 ' O ' ' G' ' 23' ' ' ASP . 17.0 m -102.51 -1.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.69 -87.94 1.62 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.174 -1.013 . . . . 10.0 112.861 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.42 101.52 5.19 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.85 147.01 51.38 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.2 0.524 . . . . 10.0 111.757 -178.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -131.95 -57.78 0.97 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.538 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 118.72 120.58 2.96 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.156 -1.021 . . . . 10.0 112.857 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -92.58 156.73 16.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.612 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 19.5 tt -105.08 106.11 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.843 0.83 . . . . 10.0 110.848 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.448 HG12 HD12 ' G' ' 32' ' ' ILE . 44.0 mt -115.2 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.595 -1.184 . . . . 10.0 110.714 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.24 112.11 4.03 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.8 mm? -91.69 72.74 5.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.664 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.5 mpt? -86.99 66.93 9.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.667 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.7 t -101.84 123.06 54.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.201 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -134.26 156.05 22.19 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.604 -0.808 . . . . 10.0 112.886 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.62 145.55 15.41 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.803 -0.519 . . . . 10.0 111.803 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.976 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.0 t -144.87 138.39 22.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 10.0 111.178 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.599 HG23 HG13 ' G' ' 40' ' ' VAL . 9.8 p . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' F' ' 12' ' ' VAL . 5.8 m . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.17 104.8 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.817 -1.179 . . . . 10.0 107.817 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -93.09 119.91 32.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -122.94 89.29 3.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HG3' ' F' ' 16' ' ' LYS . 0.2 OUTLIER -106.01 112.43 25.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.562 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.583 ' HB2' ' HG ' ' F' ' 17' ' ' LEU . 56.0 mt -118.75 117.92 30.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.788 HG12 ' HB ' ' F' ' 18' ' ' VAL . 1.6 m -129.73 129.49 66.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.305 0.574 . . . . 10.0 112.044 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -125.13 119.49 28.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.844 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -101.8 116.39 32.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.74 112.95 12.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.036 0.446 . . . . 10.0 109.93 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.705 ' HG2' ' HB3' ' H' ' 22' ' ' GLU . 4.6 pt-20 -126.91 134.12 50.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.017 0.437 . . . . 10.0 111.648 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.585 ' HA ' ' OD1' ' H' ' 23' ' ' ASP . 0.1 OUTLIER -104.3 146.11 29.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.54 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.565 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 79.2 t -127.69 -20.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.178 0.514 . . . . 10.0 110.787 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -121.14 -65.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.58 -0.819 . . . . 10.0 113.134 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -153.1 110.68 3.55 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.565 -0.374 . . . . 10.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.639 ' HA ' ' CB ' ' H' ' 27' ' ' ASN . 23.9 t-20 -64.77 152.21 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.535 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' H' ' 28' ' ' LYS . 59.2 tttp -131.65 -50.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.465 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 113.18 122.45 3.92 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.162 -1.018 . . . . 10.0 112.722 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.775 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -93.36 166.91 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.768 0.318 . . . . 10.0 111.022 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' O' ' 39' ' ' VAL . 0.0 OUTLIER -106.39 90.22 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 179.156 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' F' ' 32' ' ' ILE . 13.3 mt -107.73 116.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.189 0.518 . . . . 10.0 111.396 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 102.63 1.09 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.708 -0.758 . . . . 10.0 111.591 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.788 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 5.6 mp -89.36 68.58 7.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.949 0.404 . . . . 10.0 110.758 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.474 ' HA ' ' HB2' ' F' ' 35' ' ' MET . 6.0 ptp -81.17 80.07 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.844 0.831 . . . . 10.0 110.208 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' H' ' 36' ' ' VAL . 42.0 t -105.23 111.64 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.413 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.89 118.63 3.51 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.636 -0.792 . . . . 10.0 111.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 121.09 3.97 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.701 -0.761 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.976 HG12 ' HB ' ' F' ' 39' ' ' VAL . 35.9 m -124.76 155.0 32.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.264 0.554 . . . . 10.0 111.68 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' F' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.565 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.19 136.9 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.877 0.37 . . . . 10.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.26 123.5 18.36 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.882 1.067 . . . . 10.0 113.882 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -121.13 98.95 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.141 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.36 143.68 33.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.939 0.399 . . . . 10.0 111.091 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -152.89 116.37 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.628 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.64 119.09 33.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.696 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.32 117.69 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -118.11 144.79 45.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 10.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -125.26 120.96 32.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.623 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.7 81.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.719 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.705 ' HB3' ' HG2' ' G' ' 22' ' ' GLU . 0.0 OUTLIER -109.84 151.26 27.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.197 -179.288 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.585 ' OD1' ' HA ' ' G' ' 23' ' ' ASP . 0.6 OUTLIER -135.64 155.86 49.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.103 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.565 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 21.7 t -120.47 -33.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.337 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -93.78 -75.91 1.31 Allowed Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.497 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -136.29 133.56 37.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.639 ' CB ' ' HA ' ' G' ' 27' ' ' ASN . 9.1 t-20 -74.58 147.94 41.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' G' ' 28' ' ' LYS . 21.5 mtpt -130.89 -172.3 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.132 0.492 . . . . 10.0 111.64 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.775 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -108.19 92.6 0.75 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.459 -0.792 . . . . 10.0 112.358 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.14 139.31 42.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.453 HG12 HD12 ' G' ' 31' ' ' ILE . 4.2 mt -98.05 107.61 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -125.44 113.04 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 10.0 111.469 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.01 99.33 1.51 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.286 -0.726 . . . . 10.0 111.286 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.788 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.6 mm? -84.08 69.98 10.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 10.0 111.493 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.456 ' HE3' ' HG3' ' G' ' 35' ' ' MET . 4.5 tpt -79.34 87.05 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.826 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' G' ' 36' ' ' VAL . 38.7 t -109.65 112.86 42.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.408 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.877 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -121.79 126.2 6.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 10.0 111.459 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.047 -179.701 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.551 ' HA ' HG22 ' J' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.954 0.407 . . . . 10.0 110.689 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.81 156.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -79.94 107.25 12.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.285 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' J' ' 14' ' ' HIS . 35.5 m170 -96.72 91.45 5.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.344 0.592 . . . . 10.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -106.86 123.45 48.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.392 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -130.41 127.82 40.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.29 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.437 ' HG ' HD13 ' J' ' 17' ' ' LEU . 3.3 mp -126.22 121.23 32.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -143.48 128.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.355 0.598 . . . . 10.0 112.229 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.71 107.16 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.361 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -89.98 86.82 6.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 116.41 29.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.948 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 47.4 mm-40 -81.43 157.13 25.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.2 0.524 . . . . 10.0 111.476 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.06 107.28 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.926 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 13.0 t -136.77 -33.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.775 -0.37 . . . . 10.0 111.477 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -108.98 -151.86 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.453 -0.879 . . . . 10.0 113.12 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.8 OUTLIER -64.66 121.61 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 146.62 54.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.762 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.2 mtpt -156.16 -179.06 7.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.199 -0.91 . . . . 10.0 109.09 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.09 141.26 16.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.159 -1.02 . . . . 10.0 113.08 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.43 130.77 42.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.762 0.315 . . . . 10.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' J' ' 31' ' ' ILE . 12.8 mt -89.77 97.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . 0.533 HG23 ' HB ' ' J' ' 32' ' ' ILE . 10.2 mt -117.35 136.05 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.432 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG11 ' A' ' 39' ' ' VAL . . . -115.99 115.02 3.25 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.461 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.49 88.63 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 10.0 111.845 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.47 12.53 37.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.627 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.482 HG12 ' HB ' ' J' ' 36' ' ' VAL . 12.5 m -63.39 145.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.427 -0.806 . . . . 10.0 111.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 173.66 -163.41 34.63 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.927 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.52 160.45 21.96 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.814 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.672 HG13 HG23 ' J' ' 39' ' ' VAL . 2.7 p -145.12 120.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.404 0.621 . . . . 10.0 111.153 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.798 HG13 ' HB ' ' J' ' 40' ' ' VAL . 10.7 t -127.01 157.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 pt -65.21 112.06 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 10.0 111.309 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.595 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.829 0.347 . . . . 10.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.859 ' HB ' HG12 ' K' ' 12' ' ' VAL . 18.8 t -93.27 93.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.05 117.96 16.45 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.881 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' I' ' 14' ' ' HIS . 2.7 m170 -110.71 98.29 7.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.894 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HG2' HD11 ' J' ' 17' ' ' LEU . 5.0 tt0 -113.72 106.35 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.482 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -115.02 109.06 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.79 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.437 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.2 mp -107.73 99.91 9.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.764 ' HB ' HG12 ' K' ' 18' ' ' VAL . 14.0 t -112.73 119.87 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.09 0.471 . . . . 10.0 110.838 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -110.51 126.02 53.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.998 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -140.94 99.83 3.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.948 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.2 pt-20 -102.47 90.9 4.02 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.694 0.627 . . . . 10.0 112.694 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.57 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 1.0 OUTLIER -76.19 84.12 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.046 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 31.9 t -86.56 -15.18 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.254 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -67.52 0.88 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.171 -1.014 . . . . 10.0 110.965 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.463 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 73.8 m -157.07 118.43 3.71 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' I' ' 26' ' ' SER . 9.6 m120 -62.92 146.5 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.237 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.762 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 2.1 ttmt -144.88 -28.72 0.47 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.619 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.78 125.78 3.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.354 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.55 156.19 17.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.88 HG21 ' HB ' ' B' ' 41' ' ' ILE . 2.4 tp -102.62 92.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.708 0.766 . . . . 10.0 109.533 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' I' ' 32' ' ' ILE . 11.5 mm -106.58 131.91 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.433 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' B' ' 39' ' ' VAL . . . -123.97 116.15 2.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.862 -0.895 . . . . 10.0 110.862 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 mt -111.48 106.68 15.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.866 0.333 . . . . 10.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.93 43.19 2.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.453 0.644 . . . . 10.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 46.5 t -79.27 110.97 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.345 -0.843 . . . . 10.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.68 142.95 11.13 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.684 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.64 148.57 19.69 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.97 -0.633 . . . . 10.0 111.72 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.764 HG13 HG23 ' K' ' 39' ' ' VAL . 4.5 p -131.76 130.91 62.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.965 0.412 . . . . 10.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.798 ' HB ' HG13 ' I' ' 40' ' ' VAL . 54.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.286 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.542 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 49.5 mm-40 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . 0.859 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -128.35 103.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -74.16 100.85 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 6.2 m170 -93.31 106.55 18.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.95 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.72 100.39 6.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.526 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 82.3 tttt -110.71 129.97 55.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.338 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' L' ' 17' ' ' LEU . 1.4 mt -128.89 110.24 11.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.764 HG12 ' HB ' ' J' ' 18' ' ' VAL . 2.7 m -125.71 129.44 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.309 0.576 . . . . 10.0 112.073 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.83 121.0 35.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.04 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -108.48 101.34 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' J' ' 21' ' ' ALA . . . -106.84 112.32 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.43 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 68.6 mt-10 -113.49 115.85 28.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.521 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.1 t70 -100.68 124.48 46.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.921 0.391 . . . . 10.0 110.185 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.93 5.24 5.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.004 0.431 . . . . 10.0 110.077 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.94 -67.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.569 -0.824 . . . . 10.0 113.242 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -163.26 94.02 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.5 t30 -64.2 145.76 55.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 10.0 111.548 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 44.5 tttm -130.31 -10.35 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 140.14 7.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.52 156.58 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.745 HG23 ' HB ' ' L' ' 31' ' ' ILE . 0.2 OUTLIER -100.37 113.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.493 0.663 . . . . 10.0 111.702 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.7 mt -124.8 123.14 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.547 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . 0.793 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -121.06 127.83 7.14 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.632 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.611 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 10.4 mp -108.08 93.9 4.78 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.526 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 1.8 mpt? -96.76 48.49 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.169 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' L' ' 36' ' ' VAL . 17.0 t -83.66 106.14 13.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.411 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -131.25 148.17 18.81 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.338 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.37 154.28 25.86 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.774 HG22 HD12 ' C' ' 31' ' ' ILE . 7.5 p -139.59 127.08 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.867 0.365 . . . . 10.0 110.516 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' L' ' 40' ' ' VAL . 46.4 t -127.27 143.24 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.819 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' C' ' 31' ' ' ILE . 16.3 tt -66.89 142.09 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.86 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.729 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . 0.988 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 49.9 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.243 0.068 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.614 HG22 ' H ' ' L' ' 13' ' ' HIS . 3.6 p -147.44 172.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 10.0 112.181 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . 0.614 ' H ' HG22 ' L' ' 12' ' ' VAL . 2.8 t60 -92.66 136.81 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.143 0.497 . . . . 10.0 112.112 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . 0.532 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 15.3 m80 -130.23 88.55 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . 0.559 HE22 HG11 ' L' ' 36' ' ' VAL . 39.8 tt0 -113.2 129.39 56.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 36.5 ttpt -137.82 121.4 17.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.44 ' HB2' HD23 ' K' ' 17' ' ' LEU . 6.8 mp -112.33 119.65 39.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.614 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.92 ' HB ' HG12 ' M' ' 18' ' ' VAL . 14.7 t -124.08 115.24 44.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.349 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -116.19 127.29 54.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 25.8 m-85 -109.71 129.17 55.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.192 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 90.84 2.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.85 91.16 4.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.386 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.586 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.3 m-20 -90.2 90.88 8.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.394 0.616 . . . . 10.0 110.89 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.523 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 59.4 t -80.35 -19.79 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.788 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.07 -139.15 9.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.181 -1.009 . . . . 10.0 112.146 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 120.78 26.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . 0.594 ' N ' HD22 ' L' ' 27' ' ' ASN . 0.6 OUTLIER -78.44 152.48 32.12 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 -179.237 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 0.9 OUTLIER -138.03 -32.64 0.73 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.932 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.65 114.98 3.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.263 -0.97 . . . . 10.0 114.583 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . 0.604 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -97.3 177.64 5.49 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.912 HD11 ' HB ' ' D' ' 39' ' ' VAL . 2.3 tt -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 10.0 112.279 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.44 122.14 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.432 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . 0.488 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -110.73 107.92 2.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.561 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -95.22 75.04 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.745 0.307 . . . . 10.0 110.792 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.997 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.2 mpp? -89.11 75.14 7.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.37 0.605 . . . . 10.0 110.387 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 20.1 t -106.62 130.31 58.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.331 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.49 165.79 27.43 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.086 -1.054 . . . . 10.0 112.858 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.16 137.25 4.56 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 1.008 HG13 HG12 ' M' ' 39' ' ' VAL . 0.4 OUTLIER -137.16 138.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.234 0.517 . . . . 10.0 112.246 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 70.7 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.438 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . 0.988 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 37.7 mm-40 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.615 0.721 . . . . 10.0 110.118 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . 0.417 HG12 ' H ' ' L' ' 12' ' ' VAL . 28.5 m -107.88 143.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.162 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.09 102.06 12.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.48 114.48 26.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.563 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -124.09 105.37 9.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.074 0.464 . . . . 10.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.48 120.58 41.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.88 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.422 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 22.8 mt -121.2 110.88 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.92 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.4 m -125.38 126.15 70.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -122.95 120.18 32.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.5 -0.773 . . . . 10.0 108.929 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 71.4 m-85 -109.98 108.35 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.62 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.72 119.22 37.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.33 119.2 31.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.69 133.9 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.523 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.4 t -127.41 16.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.97 -72.08 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.167 -1.016 . . . . 10.0 113.531 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -157.59 99.79 1.75 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.637 -0.331 . . . . 10.0 111.576 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . 0.422 HD22 ' CG ' ' L' ' 23' ' ' ASP . 28.0 t-20 -69.32 149.66 48.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.523 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.588 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 4.5 mttp -121.13 -91.09 0.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.604 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -169.05 71.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.668 -1.253 . . . . 10.0 113.788 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HB1' ' L' ' 30' ' ' ALA . . . -72.48 122.79 21.88 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 1.002 HD11 HG23 ' D' ' 39' ' ' VAL . 13.6 tt -97.47 119.75 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 121.61 0.719 . . . . 10.0 112.644 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.819 HG22 ' HB ' ' N' ' 32' ' ' ILE . 7.0 pt -120.23 130.54 74.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.966 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . 1.077 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -122.43 125.6 6.1 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.496 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.6 mp -108.58 82.76 1.66 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.125 0.488 . . . . 10.0 110.352 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.895 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 5.4 mpp? -91.3 91.82 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.912 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.485 HG13 HG13 ' L' ' 36' ' ' VAL . 1.5 p -128.58 125.94 64.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.87 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -149.94 173.57 29.62 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.813 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.82 147.1 9.17 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.16 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . 1.008 HG12 HG13 ' L' ' 39' ' ' VAL . 35.7 m -128.15 133.03 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.731 HG12 ' HB ' ' N' ' 40' ' ' VAL . 25.4 m -146.24 166.68 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 10.0 111.656 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . 0.477 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.6 mm -142.54 126.51 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.107 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' O' ' 12' ' ' VAL . 10.3 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.488 0.661 . . . . 10.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.409 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.0 OUTLIER -72.95 138.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.334 -0.848 . . . . 10.0 111.696 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 126.78 30.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.814 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -117.82 97.89 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.303 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -100.45 125.31 46.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.353 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -128.89 98.69 5.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.458 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.604 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.7 mp -105.5 114.55 28.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.725 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 5.4 t -119.35 117.39 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.245 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.99 121.2 37.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.555 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.84 130.57 54.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.97 96.05 3.33 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -107.07 99.08 8.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.315 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.679 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 11.2 m-20 -99.17 101.96 13.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.153 0.501 . . . . 10.0 110.797 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.41 -22.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.077 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.36 -83.7 1.73 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.372 -0.918 . . . . 10.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -161.03 124.35 3.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.558 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 30.0 p30 -95.9 155.28 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.103 0.477 . . . . 10.0 111.561 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.591 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 99.0 mttt -112.16 -88.92 0.52 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.537 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -153.1 79.68 0.19 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.968 -1.111 . . . . 10.0 113.275 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.23 118.45 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.847 -0.798 . . . . 10.0 108.847 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.847 HG12 HG23 ' M' ' 31' ' ' ILE . 0.2 OUTLIER -96.31 113.23 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.941 0.877 . . . . 10.0 112.41 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.819 ' HB ' HG22 ' M' ' 32' ' ' ILE . 74.6 mt -110.3 106.97 21.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . 0.89 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -104.01 118.62 6.04 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.558 -0.83 . . . . 10.0 112.911 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' M' ' 34' ' ' LEU . 75.7 mt -106.17 115.55 30.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.72 -0.845 . . . . 10.0 108.72 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' O' ' 35' ' ' MET . 7.2 mtm -127.18 96.26 4.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 2.2 p -130.47 128.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.256 0.55 . . . . 10.0 111.889 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.664 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -140.84 138.95 9.26 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.414 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.13 154.17 20.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.612 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 15.4 m -137.61 134.26 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.808 0.337 . . . . 10.0 111.675 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.731 ' HB ' HG12 ' M' ' 40' ' ' VAL . 54.2 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.762 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' N' ' 11' ' ' GLU . 49.3 mt-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.2 0.524 . . . . 10.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' N' ' 11' ' ' GLU . 19.1 m -91.96 -173.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -114.69 104.92 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.014 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -91.22 107.87 19.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.71 99.83 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -111.04 113.32 25.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.437 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.604 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -113.59 112.75 24.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 5.1 p -133.54 123.44 46.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.448 0.642 . . . . 10.0 112.471 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -120.8 128.25 52.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.531 -0.758 . . . . 10.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -106.47 110.85 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.0 110.95 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.54 125.9 50.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.961 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 0.8 OUTLIER -110.35 145.42 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.021 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.498 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 3.1 t -133.59 7.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.202 0.525 . . . . 10.0 109.823 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.76 -80.23 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.123 -1.036 . . . . 10.0 113.26 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.73 99.26 3.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.751 0.276 . . . . 10.0 111.07 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.911 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 47.7 t30 -88.55 107.65 19.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 10.0 111.16 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.591 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 2.4 tttm -78.36 -33.73 48.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.31 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 125.34 5.61 Favored Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.57 -0.741 . . . . 10.0 113.526 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . 0.583 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -97.79 157.27 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.524 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -104.37 125.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.285 0.564 . . . . 10.0 110.029 178.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.82 124.21 71.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.099 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . 0.414 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -113.26 104.71 1.56 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.788 -0.72 . . . . 10.0 111.959 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.91 85.55 2.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.848 0.356 . . . . 10.0 110.226 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.543 ' O ' ' HA ' ' P' ' 35' ' ' MET . 0.0 OUTLIER -102.24 95.58 6.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.294 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' N' ' 36' ' ' VAL . 25.6 m -126.03 166.61 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.265 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.18 -171.07 43.35 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.696 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.86 158.66 21.76 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.081 -1.056 . . . . 10.0 113.173 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 31' ' ' ILE . 2.7 m -119.37 150.84 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.706 HG13 HG22 ' N' ' 40' ' ' VAL . 2.3 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.892 0.377 . . . . 10.0 111.251 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 t60 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.9 0.381 . . . . 10.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -114.04 96.67 5.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.518 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -110.74 114.03 27.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.887 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -130.35 115.91 17.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 10.0 111.179 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.7 mp -111.14 100.5 9.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.081 -0.508 . . . . 10.0 109.723 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 t -110.22 116.33 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.325 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -121.92 142.76 49.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.765 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.83 116.47 27.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.862 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.82 77.71 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.509 . . . . 10.0 110.495 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.0 133.21 53.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.142 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 2.3 t0 -137.3 143.11 41.95 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.762 -0.459 . . . . 10.0 109.762 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . 0.498 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 28.4 m -106.52 8.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.236 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.21 0.97 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.506 -0.854 . . . . 10.0 111.56 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -107.77 98.48 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.938 0.399 . . . . 10.0 110.191 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.911 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -75.7 72.09 2.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.524 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' O' ' 28' ' ' LYS . 13.8 mmmm -63.33 -52.14 63.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.03 0.443 . . . . 10.0 110.498 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . 0.583 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 82.49 147.21 6.48 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.542 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.62 -161.58 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' G' ' 40' ' ' VAL . 1.7 tt -114.44 120.2 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.054 0.454 . . . . 10.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.48 126.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.83 115.05 3.6 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.161 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.21 85.31 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.793 0.33 . . . . 10.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.877 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 0.0 OUTLIER -100.49 96.45 7.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.92 106.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 10.0 111.177 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.426 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -124.12 169.95 16.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.008 -0.615 . . . . 10.0 111.576 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.15 159.42 29.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' O' ' 39' ' ' VAL . 19.4 m -126.83 133.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 10.0 110.604 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . 0.45 ' HB ' ' HB ' ' O' ' 40' ' ' VAL . 90.4 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.316 0.579 . . . . 10.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.45 100.58 12.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.182 -0.917 . . . . 10.0 108.791 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -89.4 98.44 11.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 36.5 tt0 -118.22 117.53 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.479 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.72 111.35 14.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.039 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -111.08 108.96 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -124.46 134.36 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.451 0.643 . . . . 10.0 112.614 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.78 108.21 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.633 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.53 114.41 26.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.93 112.7 19.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.328 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.814 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 76.2 mm-40 -82.35 151.68 26.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.959 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.91 102.67 5.72 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.365 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.624 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 17.1 t -125.05 -27.15 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 10.0 110.59 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.14 -150.51 15.34 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.829 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -68.01 126.06 28.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.768 0.284 . . . . 10.0 110.266 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -66.19 157.1 32.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.396 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.679 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 2.0 mttm -165.54 -153.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.284 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.17 136.58 7.35 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.151 -1.023 . . . . 10.0 113.212 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -94.61 153.43 17.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 10.0 110.426 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 mm -100.24 86.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.677 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.725 HG22 ' HB ' ' B' ' 32' ' ' ILE . 9.6 pt -113.22 129.63 68.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 10.0 112.079 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.99 121.0 4.15 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.489 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD23 HD23 ' B' ' 34' ' ' LEU . 43.4 mt -102.5 110.46 22.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.633 0.254 . . . . 10.0 111.061 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -119.7 24.01 10.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.315 0.579 . . . . 10.0 109.65 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' B' ' 36' ' ' VAL . 9.7 t -69.93 126.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.262 -0.881 . . . . 10.0 110.548 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -163.38 147.85 13.86 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.276 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 139.74 9.64 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.658 HG13 HG23 ' B' ' 39' ' ' VAL . 5.4 p -136.73 126.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.529 . . . . 10.0 110.977 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.221 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 121.342 0.591 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.11 90.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.483 -0.932 . . . . 10.0 108.483 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.518 ' HA ' ' HB3' ' C' ' 13' ' ' HIS . 7.3 t60 -74.2 107.51 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.877 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.474 ' HB2' ' HD2' ' C' ' 14' ' ' HIS . 50.1 m-70 -104.68 95.12 5.68 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 5.0 tt0 -113.55 102.23 10.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.341 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 17.0 ptmt -114.97 121.23 42.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.277 0.56 . . . . 10.0 111.503 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.655 HD13 ' HG ' ' A' ' 17' ' ' LEU . 3.5 mp -114.48 108.25 16.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.077 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 18' ' ' VAL . 5.1 t -115.83 118.93 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.697 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.33 124.46 50.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.284 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -110.47 120.18 41.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 99.96 5.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 44.6 mt-10 -101.23 86.07 2.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.861 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.496 ' HA ' ' HB3' ' C' ' 23' ' ' ASP . 1.5 m-20 -78.98 89.29 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.949 0.404 . . . . 10.0 110.606 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.624 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 26.0 t -91.54 -15.93 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.32 -60.35 0.86 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.504 -0.855 . . . . 10.0 111.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -167.52 120.44 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.59 -0.305 . . . . 10.0 110.422 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.458 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 8.6 m120 -65.28 150.0 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.679 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 4.3 tppt? -141.24 -91.96 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.16 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 169.9 99.84 0.13 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.795 -1.193 . . . . 10.0 113.017 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.46 149.47 21.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.886 HD12 HG22 ' J' ' 39' ' ' VAL . 1.0 OUTLIER -99.26 121.01 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.62 0.724 . . . . 10.0 110.426 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.725 ' HB ' HG22 ' A' ' 32' ' ' ILE . 53.5 mt -130.73 122.36 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.047 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.04 122.06 5.43 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.927 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 34' ' ' LEU . 3.4 mm? -104.18 85.71 2.43 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.14 45.27 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.683 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.693 ' HB ' HG13 ' A' ' 36' ' ' VAL . 8.2 t -83.42 104.63 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.368 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -127.83 134.07 8.08 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.781 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.06 130.53 6.28 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.571 -0.612 . . . . 10.0 111.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.993 HG22 HD11 ' J' ' 31' ' ' ILE . 1.9 p -128.01 133.62 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.065 0.459 . . . . 10.0 111.083 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' C' ' 40' ' ' VAL . 93.6 t -134.69 135.48 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.137 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.887 ' HB ' HG21 ' J' ' 31' ' ' ILE . 13.6 tt -64.72 118.85 7.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.105 0.479 . . . . 10.0 111.357 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.939 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.01 0.434 . . . . 10.0 111.209 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -95.62 108.54 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' B' ' 13' ' ' HIS . 21.7 t60 -80.45 94.02 6.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . 0.584 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 51.8 m170 -89.27 100.11 12.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.027 0.441 . . . . 10.0 112.008 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -116.07 104.75 11.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.418 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -113.24 121.46 44.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.719 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.0 109.07 15.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 9.1 p -131.95 128.77 60.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.629 0.728 . . . . 10.0 112.382 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.61 126.79 47.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.992 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.41 111.33 23.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.51 107.05 14.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -106.34 121.34 44.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.42 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' B' ' 23' ' ' ASP . 1.6 t0 -108.78 120.46 42.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.19 10.43 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.947 0.403 . . . . 10.0 110.076 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -135.56 -65.12 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.514 -0.85 . . . . 10.0 113.02 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 92.34 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.596 0.198 . . . . 10.0 110.645 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 63.1 t30 -62.56 145.58 54.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 79.4 tttt -125.48 -102.67 0.36 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.6 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.84 109.54 0.38 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.548 -1.311 . . . . 10.0 113.573 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.44 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.812 HD12 HG22 ' K' ' 39' ' ' VAL . 1.4 pt -108.62 119.67 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.501 0.667 . . . . 10.0 111.203 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.28 102.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.776 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.53 106.18 2.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.653 -0.785 . . . . 10.0 111.555 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.67 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 5.5 mp -96.06 80.39 3.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.082 0.468 . . . . 10.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.831 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.6 mpp? -91.13 63.12 4.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.867 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 41.3 t -95.74 126.58 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.497 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.973 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -143.67 164.16 27.46 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.172 -1.013 . . . . 10.0 112.95 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.72 147.36 17.79 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.493 -0.643 . . . . 10.0 111.493 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.951 HG21 ' HA3' ' K' ' 33' ' ' GLY . 2.2 t -136.63 127.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 10.0 110.773 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.627 ' HB ' HG22 ' B' ' 40' ' ' VAL . 53.6 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.047 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.674 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 35.1 mt-10 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 111.36 0.133 . . . . 10.0 111.36 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.0 p -141.01 164.0 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.471 -0.492 . . . . 10.0 111.944 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . 0.421 ' H ' HG22 ' D' ' 12' ' ' VAL . 6.3 t60 -88.79 129.7 35.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.866 0.365 . . . . 10.0 111.727 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . 0.584 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 34.3 m170 -129.47 87.86 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.79 130.06 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 10.0 111.793 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -130.65 121.94 26.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.26 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.66 110.59 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.472 -0.785 . . . . 10.0 109.71 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.732 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.8 t -120.17 114.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.372 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -116.53 127.41 54.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.9 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.08 122.07 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.64 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.29 97.32 5.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.0 94.99 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.31 94.4 8.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.698 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 41.3 t -87.79 -28.16 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.528 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -90.82 -103.17 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.346 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -121.84 110.46 15.91 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -66.32 150.69 48.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.87 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 34.2 tttm -139.9 -51.42 0.5 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.795 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.27 125.97 3.02 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.139 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.58 165.42 11.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 1.008 HD11 HG23 ' E' ' 31' ' ' ILE . 9.4 pt -106.28 113.22 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.657 0.741 . . . . 10.0 110.948 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.484 HG12 HD12 ' E' ' 32' ' ' ILE . 23.2 mt -116.63 112.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.158 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.777 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -107.46 112.56 3.73 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.757 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.67 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -101.73 80.13 2.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.916 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.6 mpp? -97.45 81.75 3.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 10.0 110.531 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.505 ' HB ' HG13 ' C' ' 36' ' ' VAL . 25.4 t -108.71 116.38 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.534 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 1.094 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -134.62 124.6 3.52 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.1 -1.048 . . . . 10.0 112.931 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.08 132.13 6.7 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.428 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 1.08 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.4 m -133.4 149.98 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.765 0.316 . . . . 10.0 111.198 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.686 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.4 p -147.25 143.67 19.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.817 0.341 . . . . 10.0 111.127 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.92 127.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.73 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.351 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.744 ' HA ' HG22 ' F' ' 12' ' ' VAL . 1.9 mp0 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.654 0.74 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . 0.425 HG12 ' H ' ' D' ' 12' ' ' VAL . 26.8 m -90.16 158.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.961 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -96.2 101.4 13.04 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.293 -1.002 . . . . 10.0 108.293 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.51 106.19 18.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.177 0.513 . . . . 10.0 111.128 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -116.11 107.16 14.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.989 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -114.99 116.57 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.341 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.36 112.67 23.43 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.9 OUTLIER -127.03 124.69 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.361 0.601 . . . . 10.0 112.374 -179.029 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -123.18 123.54 41.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.568 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -109.18 107.34 17.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.572 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 112.35 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.31 119.46 22.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.868 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.5 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 3.1 t70 -115.89 132.52 56.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 10.0 110.197 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.698 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -119.86 32.78 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.374 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.2 -74.19 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.68 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -151.91 115.86 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.475 -0.426 . . . . 10.0 110.523 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -84.39 144.66 28.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.87 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 10.4 mttm -125.89 -54.39 1.52 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.873 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.422 ' O ' ' HA3' ' F' ' 29' ' ' GLY . . . 134.09 119.32 1.96 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.026 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -93.28 161.79 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.112 0.165 . . . . 10.0 110.653 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 1.008 HG23 HD11 ' D' ' 31' ' ' ILE . 7.3 mt -106.43 86.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.484 HD12 HG12 ' D' ' 32' ' ' ILE . 5.4 mt -100.15 111.02 28.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.275 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.427 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -116.83 99.67 0.86 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 10.0 113.266 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -92.91 90.98 7.2 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.51 75.14 1.0 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.408 0.623 . . . . 10.0 110.552 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.9 m -103.52 140.56 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.871 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.406 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -144.17 157.76 27.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.145 -1.026 . . . . 10.0 112.71 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.24 131.26 4.0 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.201 -0.76 . . . . 10.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 1.03 HG21 ' HA3' ' M' ' 33' ' ' GLY . 54.3 t -130.33 121.87 52.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 10.0 111.898 -179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.686 ' HB ' HG23 ' D' ' 40' ' ' VAL . 86.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.76 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.967 ' HB ' HG12 ' G' ' 12' ' ' VAL . 2.8 t -113.84 108.95 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 125.1 31.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.454 0.538 . . . . 10.0 112.454 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -126.1 94.55 4.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.146 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.414 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.8 tt0 -111.65 124.98 53.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.488 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -133.49 128.29 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.197 0.523 . . . . 10.0 111.863 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 8.0 mp -115.56 114.12 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.342 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' G' ' 18' ' ' VAL . 29.9 t -117.08 113.94 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.347 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.96 124.08 47.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.621 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.57 129.9 54.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.608 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.23 86.55 2.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -98.39 100.24 11.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.448 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.824 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 9.8 m-20 -100.44 101.93 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.02 0.438 . . . . 10.0 110.881 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' G' ' 24' ' ' VAL . 7.6 m -94.15 0.54 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 10.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.48 -63.76 0.38 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.829 -0.7 . . . . 10.0 111.731 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.7 p 176.64 118.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 1.047 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 25.4 p30 -82.11 140.92 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.0 OUTLIER -105.38 -30.28 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.13 -0.941 . . . . 10.0 108.809 178.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 114.61 114.09 3.02 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.891 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.493 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -97.87 150.7 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.644 ' HB ' HD12 ' E' ' 31' ' ' ILE 0.259 12.0 tt -101.46 109.04 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.769 0.795 . . . . 10.0 112.183 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.522 HG12 HD12 ' G' ' 32' ' ' ILE . 29.6 mt -113.15 116.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.757 -1.11 . . . . 10.0 109.974 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.21 111.98 3.47 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.595 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.4 mm? -96.19 74.44 2.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.4 mpt? -88.65 69.55 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.035 0.445 . . . . 10.0 110.106 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.644 ' HB ' HG12 ' E' ' 36' ' ' VAL . 42.4 t -100.77 119.65 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.007 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.421 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.33 148.87 18.44 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.811 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -140.42 144.76 15.28 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.43 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 1.028 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.1 t -144.44 141.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 122.155 0.182 . . . . 10.0 111.208 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.529 HG23 HG13 ' G' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.967 HG12 ' HB ' ' F' ' 12' ' ' VAL . 14.2 m . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.456 0.646 . . . . 10.0 112.699 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 9.6 t60 -88.66 108.85 19.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.591 -1.263 . . . . 10.0 107.591 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -96.67 124.47 40.67 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.177 -0.465 . . . . 10.0 112.029 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.414 ' HG2' ' HG3' ' F' ' 15' ' ' GLN . 2.1 tp60 -128.57 97.96 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -111.72 119.07 37.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.835 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.516 HD13 HD23 ' G' ' 34' ' ' LEU . 47.9 mt -117.76 106.08 12.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.3 m -119.95 123.44 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.422 0.629 . . . . 10.0 112.339 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' H' ' 19' ' ' PHE . 31.5 m-85 -124.93 121.22 33.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.411 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.4 109.77 21.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 10.0 111.618 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.69 115.99 27.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.841 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -117.92 134.83 54.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.194 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.824 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.0 OUTLIER -108.45 143.11 37.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' F' ' 24' ' ' VAL . 77.4 t -129.58 -34.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.858 0.361 . . . . 10.0 110.713 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -109.97 -67.05 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.343 -0.932 . . . . 10.0 112.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 21.2 m -153.12 112.38 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.615 0.245 . . . . 10.0 110.658 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 1.047 ' HB3' ' HA ' ' F' ' 27' ' ' ASN . 18.6 t-20 -65.35 144.17 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.605 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -121.43 -54.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.661 0.267 . . . . 10.0 110.337 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.493 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 120.95 114.58 2.37 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.056 -1.068 . . . . 10.0 112.864 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.864 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -91.37 170.3 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.521 0.201 . . . . 10.0 111.183 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.515 HG13 ' HA ' ' H' ' 31' ' ' ILE . 0.4 OUTLIER -107.03 90.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 179.09 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.619 HG12 HD12 ' H' ' 32' ' ' ILE . 7.3 mt -101.81 104.22 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.291 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.63 105.33 2.01 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.668 -0.777 . . . . 10.0 111.961 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.715 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 6.5 mp -93.7 74.28 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.921 0.391 . . . . 10.0 110.743 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.448 ' O ' ' HE3' ' H' ' 35' ' ' MET . 2.2 ptp -81.5 76.36 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.123 0.963 . . . . 10.0 109.685 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.456 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 40.9 t -94.3 111.26 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.592 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.74 123.04 5.68 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.521 -0.847 . . . . 10.0 111.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -133.61 112.77 1.12 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.514 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 1.028 HG12 ' HB ' ' F' ' 39' ' ' VAL . 27.0 m -127.29 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.313 0.578 . . . . 10.0 111.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' P' ' 31' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.173 -0.921 . . . . 10.0 110.625 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' H' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.556 0.217 . . . . 10.0 110.451 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.53 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -66.21 132.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.986 179.086 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.476 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 13.4 t60 -70.84 133.19 46.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -116.16 101.4 8.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.112 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.45 129.68 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.721 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -139.05 115.52 10.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.77 117.25 30.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 t -116.71 123.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.466 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' G' ' 19' ' ' PHE . 23.5 m-85 -127.25 137.92 52.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.843 0.354 . . . . 10.0 110.495 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -114.57 132.72 56.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.754 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -141.64 87.12 2.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.43 136.36 46.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' G' ' 23' ' ' ASP . 5.1 t70 -100.54 151.64 21.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.815 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -126.02 -34.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 10.0 109.947 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -132.53 -51.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.006 -0.616 . . . . 10.0 113.028 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -143.07 110.79 5.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.504 -0.409 . . . . 10.0 110.421 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -65.9 151.12 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.86 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.672 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 35.4 tttp -136.53 -178.59 5.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.603 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.864 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -101.26 92.18 1.01 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.296 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.5 139.22 40.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.588 HD11 HG23 ' P' ' 39' ' ' VAL . 9.6 tt -84.21 112.96 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . 0.619 HD12 HG12 ' G' ' 32' ' ' ILE . 8.8 mt -126.56 107.01 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.878 0.371 . . . . 10.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.72 106.54 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 111.405 -0.678 . . . . 10.0 111.405 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.715 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.2 mm? -96.77 79.1 2.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.278 . . . . 10.0 111.152 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.448 ' HE3' ' O ' ' G' ' 35' ' ' MET . 7.2 tpt -84.95 91.81 8.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.22 0.533 . . . . 10.0 110.067 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 51.4 t -98.6 122.87 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.256 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -118.98 105.65 1.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.817 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.735 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.402 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' J' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.436 0.636 . . . . 10.0 110.236 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.93 162.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.929 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -90.54 95.27 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.901 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -87.2 86.69 7.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.181 0.515 . . . . 10.0 110.613 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -105.34 109.42 21.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.563 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -114.84 115.72 27.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.26 116.96 28.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.62 135.29 30.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -116.55 114.9 24.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.164 -0.926 . . . . 10.0 109.632 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.38 105.35 17.41 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 115.72 30.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.852 0.358 . . . . 10.0 111.131 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.931 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 72.1 mm-40 -91.35 137.56 32.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.039 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' J' ' 27' ' ' ASN . 0.0 OUTLIER -116.0 113.27 23.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.713 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 6.2 t -133.43 -16.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 10.0 110.504 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.79 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.271 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -57.79 129.13 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.749 0.275 . . . . 10.0 110.588 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.41 147.42 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.519 0.199 . . . . 10.0 111.395 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.706 ' HD3' ' HG2' ' J' ' 28' ' ' LYS . 26.8 mtpt -144.72 -105.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.528 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.41 125.23 0.84 Allowed Glycine 0 CA--C 1.517 0.166 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.2 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -89.96 137.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 111.841 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 1.6 mt -86.81 93.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -111.34 126.69 68.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.381 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.2 122.53 5.64 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -109.9 100.16 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.779 0.323 . . . . 10.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -110.26 16.06 21.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.158 0.504 . . . . 10.0 110.291 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.558 HG12 ' HB ' ' J' ' 36' ' ' VAL . 6.4 m -64.36 146.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.334 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 167.95 -169.24 41.24 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.627 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.94 -179.98 47.63 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.478 -0.868 . . . . 10.0 112.251 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.654 HG13 HG23 ' J' ' 39' ' ' VAL . 7.6 p -157.37 132.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.065 0.459 . . . . 10.0 110.544 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' J' ' 40' ' ' VAL . 14.0 t -130.78 158.31 43.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 pt -57.9 142.22 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.444 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 51.4 mt-10 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.965 0.412 . . . . 10.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.4 t -96.02 108.72 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -83.08 115.04 21.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.201 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.65 92.3 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -108.13 112.01 24.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.534 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -115.14 109.08 17.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.397 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.414 ' HG ' HD12 ' K' ' 17' ' ' LEU . 4.8 mp -108.91 96.15 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.742 ' HB ' HG12 ' K' ' 18' ' ' VAL . 13.2 t -113.3 117.24 54.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 10.0 111.062 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.95 126.63 55.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -111.33 122.04 46.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.87 101.15 5.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.931 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 1.2 pt-20 -106.59 87.36 2.51 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.71 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -77.13 88.72 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.065 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.577 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 16.9 t -86.95 -14.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.621 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.66 -65.79 0.77 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.306 -0.949 . . . . 10.0 111.889 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 60.4 m -157.78 118.26 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 7.5 m120 -68.71 146.45 52.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.999 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 15.7 mttp -139.95 -107.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.85 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.55 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -157.12 90.24 0.11 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.764 -1.208 . . . . 10.0 113.568 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.6 127.98 33.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.993 HD11 HG22 ' B' ' 39' ' ' VAL . 1.6 tp -92.84 104.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.629 0.728 . . . . 10.0 111.3 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.16 131.75 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.56 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.78 115.25 2.3 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.957 -0.64 . . . . 10.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' K' ' 34' ' ' LEU . 91.4 mt -108.67 99.86 9.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.691 0.282 . . . . 10.0 110.801 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.9 mmt -109.09 35.8 3.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.351 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 15.0 t -75.24 114.22 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.794 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.05 137.22 7.0 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.766 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.66 136.82 9.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 10.0 111.821 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.886 HG22 HD12 ' B' ' 31' ' ' ILE . 3.2 p -124.73 127.12 72.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.162 0.506 . . . . 10.0 110.777 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.605 ' HB ' HG13 ' I' ' 40' ' ' VAL . 69.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.675 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' L' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.855 0.359 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' J' ' 12' ' ' VAL . 2.7 m -106.39 109.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.305 0.574 . . . . 10.0 112.383 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -77.35 103.04 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . 0.933 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 31.4 m170 -94.57 107.76 19.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.054 0.454 . . . . 10.0 111.41 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -121.47 101.24 7.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.372 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -110.09 124.45 51.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.325 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.414 HD12 ' HG ' ' J' ' 17' ' ' LEU . 13.4 mt -125.19 105.52 9.2 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.742 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.4 m -124.96 128.13 72.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.386 0.612 . . . . 10.0 112.251 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 60.0 m-85 -125.01 121.75 35.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.619 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.62 112.02 24.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.233 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 110.22 18.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 40.0 mt-10 -109.54 117.51 34.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.797 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.71 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.3 t70 -103.39 117.56 34.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.56 -5.76 11.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 121.323 0.582 . . . . 10.0 109.747 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.98 -76.93 0.53 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.754 -0.736 . . . . 10.0 113.013 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -158.33 95.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.262 -0.273 . . . . 10.0 110.262 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . 0.621 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.9 t30 -63.5 147.65 50.77 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.144 0.497 . . . . 10.0 112.023 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.999 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 41.9 tttm -127.19 -64.63 0.99 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.738 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.86 110.03 0.38 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.525 -1.321 . . . . 10.0 113.791 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 153.97 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.763 ' HB ' HG23 ' J' ' 31' ' ' ILE . 9.4 tt -108.29 114.48 46.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.525 0.679 . . . . 10.0 112.7 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.473 HG12 HD12 ' L' ' 32' ' ' ILE . 39.0 mt -116.14 112.2 38.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 10.0 109.114 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -113.96 113.36 3.05 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.387 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.704 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.79 89.23 4.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.107 0.48 . . . . 10.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.973 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.1 mpp? -94.97 57.47 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.515 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 25.8 t -93.54 126.77 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.093 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . 0.831 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -149.55 172.69 29.5 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.161 -1.019 . . . . 10.0 112.42 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.54 151.05 19.94 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.819 -0.705 . . . . 10.0 111.741 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.812 HG22 HD12 ' C' ' 31' ' ' ILE . 7.6 p -135.35 126.9 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 110.385 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' L' ' 40' ' ' VAL . 17.5 t -124.37 134.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . 0.699 ' HA ' HG21 ' C' ' 31' ' ' ILE . 19.0 tt -64.88 139.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 10.0 110.973 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.746 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.71 ' H ' HG12 ' M' ' 12' ' ' VAL . 2.0 p -134.15 176.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . 0.705 ' H ' HG22 ' L' ' 12' ' ' VAL . 28.9 t60 -103.81 131.76 50.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.356 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . 0.933 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 18.6 m80 -124.37 97.58 5.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -114.08 120.27 40.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.107 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -127.94 118.85 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.555 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' K' ' 17' ' ' LEU . 8.4 mp -114.4 114.95 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.557 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.806 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.2 t -124.08 114.38 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.949 0.404 . . . . 10.0 110.369 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . 0.438 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 17.9 m-85 -118.21 126.24 51.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.994 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.2 126.43 52.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.49 94.08 3.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -98.79 90.32 4.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.582 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.673 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.8 OUTLIER -89.37 84.5 6.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.308 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.654 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 48.1 t -75.93 -31.31 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.197 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.14 -138.66 9.68 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.272 -0.966 . . . . 10.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 121.98 27.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . 0.673 ' ND2' ' HB3' ' L' ' 23' ' ' ASP . 0.6 OUTLIER -81.19 151.83 28.0 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.634 ' HA ' ' HD3' ' K' ' 28' ' ' LYS . 14.4 tttm -138.52 -52.48 0.59 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.722 0.296 . . . . 10.0 110.381 177.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.52 117.87 2.11 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.087 -1.054 . . . . 10.0 114.31 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.57 162.57 12.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 1.08 HD11 ' HB ' ' D' ' 39' ' ' VAL . 1.5 tt -112.26 121.65 65.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.478 0.656 . . . . 10.0 112.716 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.525 HG12 HD11 ' M' ' 32' ' ' ILE . 22.4 mt -113.99 116.14 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.747 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.86 108.4 2.73 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.118 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.704 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.3 mm? -98.75 85.15 3.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 1.094 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.1 mpp? -100.98 85.54 2.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.376 0.608 . . . . 10.0 110.649 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.582 ' HB ' HG13 ' K' ' 36' ' ' VAL . 12.3 t -115.41 127.82 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.022 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.916 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -148.59 128.2 2.75 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.036 -1.078 . . . . 10.0 113.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.09 140.0 11.48 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 10.0 111.6 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 1.03 HG13 HG12 ' M' ' 39' ' ' VAL . 0.9 OUTLIER -131.78 139.93 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 10.0 112.007 -179.422 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' K' ' 40' ' ' VAL . 55.0 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.304 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.394 0.616 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . 0.71 HG12 ' H ' ' L' ' 12' ' ' VAL . 22.0 m -119.88 150.65 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.889 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -84.78 104.86 15.11 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.82 107.86 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.658 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -115.74 103.14 10.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -109.35 117.26 33.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -116.31 109.84 17.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.217 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.806 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.6 m -124.86 124.23 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . 0.426 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 16.7 m-85 -122.19 125.49 46.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.589 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.99 114.52 27.9 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.82 116.21 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -126.07 116.4 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.351 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -114.84 125.82 54.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.654 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -114.46 15.85 8.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.427 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -137.97 -70.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.262 -0.97 . . . . 10.0 113.399 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.0 m -157.35 98.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.59 -0.359 . . . . 10.0 110.853 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -72.99 133.66 44.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.624 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 5.5 tttp -107.39 -76.95 0.6 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.347 . . . . 10.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.65 85.52 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.482 -1.342 . . . . 10.0 114.027 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -83.77 137.23 33.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.415 -0.957 . . . . 10.0 108.415 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.943 HD11 HG23 ' D' ' 39' ' ' VAL . 14.1 tt -101.9 114.48 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.677 0.751 . . . . 10.0 112.727 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.879 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.9 pt -110.86 121.89 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.906 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . 1.03 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -116.12 117.25 3.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.943 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.722 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.5 mp -104.1 91.05 3.78 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.063 0.458 . . . . 10.0 109.79 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.406 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 7.4 mtm -101.92 93.2 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.513 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 1.3 p -127.16 130.07 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.21 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -150.07 171.72 30.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.615 -0.802 . . . . 10.0 112.168 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.06 145.33 7.81 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.626 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . 1.03 HG12 HG13 ' L' ' 39' ' ' VAL . 18.3 m -131.6 138.63 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.538 0.209 . . . . 10.0 110.615 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 40' ' ' VAL . 30.5 m -146.78 174.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.458 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' M' ' 41' ' ' ILE . 1.0 OUTLIER -143.39 137.39 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.014 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.49 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.17 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . 0.6 ' HA ' ' O ' ' O' ' 11' ' ' GLU . 12.3 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.158 0.504 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.422 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.6 OUTLIER -71.1 139.96 19.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.408 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 132.21 44.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -122.31 95.79 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.379 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -98.22 128.95 44.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' N' ' 16' ' ' LYS . 12.7 ttmt -129.86 94.5 3.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.841 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.2 mp -100.34 112.56 24.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.562 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 23.2 t -119.77 113.87 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.441 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 56.8 m-85 -119.96 117.97 29.47 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.842 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.17 130.35 55.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.988 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.03 98.79 3.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.05 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -105.75 105.41 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.568 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.605 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 15.3 m-20 -98.45 103.61 15.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.425 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 62.5 t -82.99 -23.53 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.217 0.532 . . . . 10.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . 0.459 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -101.3 -69.71 0.87 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.432 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -178.2 130.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.605 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.1 p30 -95.43 149.35 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 10.0 111.003 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.624 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 18.6 tttp -106.25 -83.96 0.52 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.537 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -162.57 77.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.144 -1.027 . . . . 10.0 113.037 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.78 135.35 35.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.855 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -106.19 113.96 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.899 0.857 . . . . 10.0 112.362 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.879 ' HB ' HG22 ' M' ' 32' ' ' ILE . 69.9 mt -106.11 103.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.183 -1.044 . . . . 10.0 108.183 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . 0.712 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -99.95 117.0 5.74 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.384 -0.913 . . . . 10.0 112.801 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.722 HD12 ' HG ' ' M' ' 34' ' ' LEU . 81.6 mt -111.78 107.73 16.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' O' ' 35' ' ' MET . 4.8 mtm -122.88 98.59 5.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.8 p -128.85 127.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.438 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.489 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -144.63 130.11 3.81 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.705 -0.759 . . . . 10.0 111.902 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.38 153.79 18.24 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.079 -0.808 . . . . 10.0 111.079 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.75 HG12 HG22 ' M' ' 39' ' ' VAL . 10.6 m -137.23 127.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.108 0.454 . . . . 10.0 111.629 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' M' ' 40' ' ' VAL . 43.0 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.965 0.412 . . . . 10.0 111.003 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . 0.6 ' O ' ' HA ' ' N' ' 11' ' ' GLU . 34.5 mt-10 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.159 0.504 . . . . 10.0 110.261 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -81.77 -179.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.63 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -120.91 104.12 9.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -92.35 110.63 22.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.879 0.371 . . . . 10.0 111.136 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.21 102.65 11.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.663 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' O' ' 16' ' ' LYS . 1.3 mtpp -102.45 98.65 8.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.001 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.508 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.4 mm? -103.53 110.88 23.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.2 p -136.32 124.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.577 0.703 . . . . 10.0 112.657 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.71 124.27 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.21 -0.905 . . . . 10.0 109.736 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.92 107.05 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.987 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.11 128.38 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.887 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.46 129.0 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 0.6 OUTLIER -116.6 144.43 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.068 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.53 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.6 t -135.42 11.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.26 0.552 . . . . 10.0 109.547 178.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.18 -74.62 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.179 -1.01 . . . . 10.0 113.278 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -146.76 101.26 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.95 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 41.1 t30 -88.15 96.91 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 5.0 tmtt? -67.06 -49.64 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.94 122.5 3.33 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.097 -1.049 . . . . 10.0 113.705 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . 0.469 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -96.85 166.29 11.7 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.519 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -109.99 117.52 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.488 0.661 . . . . 10.0 109.546 178.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.701 HD11 HG12 ' N' ' 32' ' ' ILE . 4.9 pt -119.57 113.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.469 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -106.09 109.31 3.13 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' P' ' 34' ' ' LEU . 6.5 mp -102.0 102.48 13.0 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.655 ' HE3' ' HG3' ' P' ' 35' ' ' MET . 0.0 OUTLIER -119.98 102.43 8.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.187 0.518 . . . . 10.0 110.82 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.735 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.5 m -126.27 146.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.408 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.67 179.65 40.43 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.015 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.39 165.82 33.67 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.995 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.84 HG22 ' HB ' ' P' ' 39' ' ' VAL . 4.1 m -121.69 149.26 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.75 ' HB ' HG22 ' N' ' 40' ' ' VAL . 13.8 t . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 120.787 0.327 . . . . 10.0 111.742 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.5 t60 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.701 0.286 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -118.74 106.6 12.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 10.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.76 107.89 18.86 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -111.59 117.09 32.0 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.72 96.22 5.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.454 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -110.93 118.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.419 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -121.06 145.68 47.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.1 123.12 41.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.958 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.35 70.78 1.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.246 0.546 . . . . 10.0 109.754 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -101.82 134.37 45.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.601 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' P' ' 27' ' ' ASN . 4.0 t0 -147.15 136.64 22.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.899 0.38 . . . . 10.0 110.427 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 m -103.67 -0.66 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.161 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.71 -115.09 2.62 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.249 -0.977 . . . . 10.0 111.959 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -101.62 97.12 7.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.95 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -66.34 101.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.82 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -78.48 -79.63 0.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.25 0.548 . . . . 10.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 104.35 120.42 4.76 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 115.472 -0.785 . . . . 10.0 112.778 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' G' ' 40' ' ' VAL . 0.5 OUTLIER -122.54 121.19 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.1 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.66 120.56 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.226 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.18 116.5 5.28 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.454 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' O' ' 34' ' ' LEU . 2.1 mm? -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.838 0.352 . . . . 10.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.655 ' HG3' ' HE3' ' O' ' 35' ' ' MET . 2.8 mpt? -99.23 103.24 15.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.5 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . 0.735 ' HB ' HG12 ' O' ' 36' ' ' VAL . 28.3 t -127.97 112.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.595 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.9 137.39 13.94 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.843 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.47 105.75 0.53 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.156 -0.545 . . . . 10.0 111.875 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.84 ' HB ' HG22 ' O' ' 39' ' ' VAL . 32.7 m -111.39 154.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.662 0.245 . . . . 10.0 111.662 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.601 179.502 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB3' HG22 ' B' ' 12' ' ' VAL . 1.4 mm-40 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.74 155.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.687 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -85.92 96.81 9.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.427 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 33.3 m170 -91.02 90.14 7.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.325 0.583 . . . . 10.0 110.565 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -106.27 121.42 44.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.373 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.15 127.02 47.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.311 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.77 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -123.79 117.01 23.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.92 136.07 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.11 104.67 9.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.054 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.65 103.34 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.96 121.82 44.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.728 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 74.5 mm-40 -88.03 148.61 24.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.437 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -121.29 103.96 9.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 12.7 t -135.36 -24.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.092 0.472 . . . . 10.0 110.583 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -113.49 -155.65 11.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.847 -0.692 . . . . 10.0 112.227 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 5.0 p -73.53 120.7 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.658 -0.319 . . . . 10.0 110.69 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -62.26 153.65 30.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.557 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 12.9 tptm -150.27 -92.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.478 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 157.92 126.34 0.88 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.638 -0.792 . . . . 10.0 112.78 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.51 163.94 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 10.0 110.872 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 mm -112.34 89.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB ' ' B' ' 32' ' ' ILE . 34.6 pt -110.99 135.08 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.233 0.54 . . . . 10.0 112.421 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.12 119.07 3.62 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 34' ' ' LEU . 27.4 mt -104.79 100.87 10.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -114.87 23.47 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.563 HG13 ' HB ' ' B' ' 36' ' ' VAL . 4.6 t -68.24 114.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.51 155.93 26.76 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.834 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -150.47 147.07 16.79 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.644 HG13 HG23 ' B' ' 39' ' ' VAL . 3.6 p -151.69 124.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.969 0.414 . . . . 10.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.493 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.164 0.506 . . . . 10.0 110.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.744 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -94.55 97.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 179.374 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -72.93 110.88 7.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.707 0.289 . . . . 10.0 110.519 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 22.9 m170 -111.58 89.5 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 10.0 110.125 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -110.71 111.09 22.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.704 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -121.64 116.96 25.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.318 0.58 . . . . 10.0 111.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.77 HD13 ' HG ' ' A' ' 17' ' ' LEU . 2.1 mp -109.07 110.73 22.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.054 -0.975 . . . . 10.0 109.052 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 t -116.98 120.92 66.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.763 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -116.38 125.32 51.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.451 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.57 125.39 53.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.78 99.77 4.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.728 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 22.0 mt-10 -95.99 85.37 4.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.625 -0.261 . . . . 10.0 111.586 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -78.23 79.91 4.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.066 0.46 . . . . 10.0 110.075 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.689 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 21.9 t -87.01 -15.0 9.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.49 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.05 -69.46 0.86 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.291 -0.957 . . . . 10.0 112.178 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 46.9 m -157.09 114.64 3.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.481 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 4.4 m120 -61.75 152.76 30.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.318 0.58 . . . . 10.0 111.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.601 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 7.3 tttp -148.71 -113.82 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.426 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.481 ' H ' ' HB3' ' B' ' 28' ' ' LYS . . . -170.65 107.23 0.26 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.493 -1.337 . . . . 10.0 113.578 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 151.79 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.934 HD12 HG22 ' J' ' 39' ' ' VAL . 0.9 OUTLIER -97.07 125.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.464 0.65 . . . . 10.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 32' ' ' ILE . 55.4 mt -131.39 115.46 28.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.738 -0.665 . . . . 10.0 109.689 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -112.28 115.24 3.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.353 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.483 HD13 HD13 ' C' ' 34' ' ' LEU . 3.3 mm? -97.74 90.27 4.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.84 37.2 2.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 10.0 110.881 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.657 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 18.3 t -76.2 104.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.93 130.45 6.92 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.645 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -126.91 130.42 6.91 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.374 -0.691 . . . . 10.0 111.374 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 1.008 HG22 HD11 ' J' ' 31' ' ' ILE . 2.6 p -127.04 136.35 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.413 . . . . 10.0 111.275 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.646 HG22 ' HB ' ' C' ' 40' ' ' VAL . 72.6 t -135.11 139.8 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.985 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 1.004 HG12 HG21 ' J' ' 31' ' ' ILE . 11.0 mt -58.01 129.72 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.103 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.604 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.521 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.118 0.485 . . . . 10.0 111.194 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.744 HG12 ' HB ' ' B' ' 12' ' ' VAL . 5.7 m -104.38 125.61 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -86.23 89.56 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.409 ' HD2' ' HB2' ' B' ' 14' ' ' HIS . 7.6 m170 -80.23 101.47 8.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.335 0.588 . . . . 10.0 112.216 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -115.43 93.54 4.33 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 88.8 tttt -104.83 119.65 39.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 10.0 111.815 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -120.41 112.46 19.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.411 HG13 HG13 ' D' ' 18' ' ' VAL . 8.4 p -134.23 130.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.503 0.668 . . . . 10.0 112.418 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -123.45 127.53 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.872 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.18 109.35 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.897 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.56 109.72 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -110.65 116.26 31.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.911 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.9 OUTLIER -102.21 120.62 40.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.287 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.28 7.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.46 0.648 . . . . 10.0 109.406 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -132.53 -68.88 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.566 -0.826 . . . . 10.0 113.09 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -163.14 94.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 58.1 t30 -63.29 142.31 58.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.906 0.384 . . . . 10.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -123.27 -82.23 0.65 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.586 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.9 106.73 0.19 Allowed Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.934 -1.127 . . . . 10.0 113.693 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.497 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -93.77 172.69 8.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.827 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -112.93 119.19 59.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.567 0.698 . . . . 10.0 111.531 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.65 100.1 8.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.354 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.67 103.22 2.2 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.251 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.563 ' HG ' HD23 ' D' ' 34' ' ' LEU . 5.5 mp -93.96 81.43 4.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.187 0.518 . . . . 10.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.661 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 5.0 mpp? -93.14 50.78 1.57 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.883 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.8 t -86.98 123.36 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.774 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.834 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -137.59 168.51 24.43 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.275 -0.964 . . . . 10.0 112.841 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.03 147.77 17.94 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.882 HG21 ' HA3' ' K' ' 33' ' ' GLY . 0.9 OUTLIER -139.14 129.79 33.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.74 0.305 . . . . 10.0 111.154 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.646 ' HB ' HG22 ' B' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.704 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.914 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 75.3 mt-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' C' ' 11' ' ' GLU . 4.1 p -169.84 154.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.469 0.176 . . . . 10.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.42 132.52 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.015 0.436 . . . . 10.0 111.645 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -131.14 84.75 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 18.8 pt20 -108.82 140.48 42.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 10.0 111.642 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 30.3 ttpt -140.6 122.23 15.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.039 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.25 112.49 23.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.507 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.5 t -119.75 115.68 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.307 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -115.88 125.44 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -106.61 125.47 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.616 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.3 99.94 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.888 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -104.2 96.85 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.602 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.78 92.03 8.21 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.462 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 92.1 t -86.85 -24.96 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 10.0 111.784 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.487 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -93.06 -81.47 1.49 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.339 -0.934 . . . . 10.0 113.427 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -151.15 113.64 4.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.7 OUTLIER -63.26 155.86 27.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.688 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 49.9 tttm -141.11 -107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.578 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . -165.46 99.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.178 -1.01 . . . . 10.0 112.86 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -100.5 153.28 19.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.827 ' HA ' HG12 ' C' ' 31' ' ' ILE 0.259 0.0 OUTLIER -97.94 127.46 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.404 0.621 . . . . 10.0 112.372 178.989 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mt -125.38 96.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 111.3 4.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.604 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.563 HD23 ' HG ' ' C' ' 34' ' ' LEU . 1.6 mm? -101.31 78.46 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.948 0.404 . . . . 10.0 109.959 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.848 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.8 mpp? -94.72 73.81 3.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.124 0.487 . . . . 10.0 110.771 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' C' ' 36' ' ' VAL . 31.7 t -102.6 122.59 55.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.642 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.968 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.11 125.89 2.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.941 -1.123 . . . . 10.0 112.911 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 133.58 7.48 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.66 -0.781 . . . . 10.0 111.648 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 1.05 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.9 m -130.23 144.6 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 10.0 112.096 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.861 HG22 ' HB ' ' E' ' 40' ' ' VAL . 11.6 t -140.94 142.27 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.116 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 tt -82.91 128.99 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.914 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.1 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.742 0.782 . . . . 10.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.499 HG12 HG12 ' D' ' 12' ' ' VAL . 18.8 m -86.53 143.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -90.91 92.78 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.47 102.68 15.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.829 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' F' ' 15' ' ' GLN . 3.9 tt0 -121.29 110.89 16.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.17 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -123.27 131.2 53.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.148 0.499 . . . . 10.0 111.305 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.625 HD22 HD23 ' E' ' 34' ' ' LEU . 3.0 mp -123.23 116.0 22.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.45 -0.796 . . . . 10.0 109.174 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -122.63 125.46 72.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.325 0.583 . . . . 10.0 111.928 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -120.65 122.14 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.668 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -106.59 104.06 13.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.096 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 108.52 19.51 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -115.52 129.47 56.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.811 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.52 142.51 50.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.286 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.485 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.8 t -138.18 19.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.19 -62.22 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.286 -0.959 . . . . 10.0 113.6 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.95 121.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.798 0.299 . . . . 10.0 110.842 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.64 164.23 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.784 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.585 ' HD2' ' HG2' ' F' ' 28' ' ' LYS . 15.0 ttmm -142.82 -102.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.978 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -162.43 100.02 0.18 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.015 -1.088 . . . . 10.0 113.624 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -83.81 154.4 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -114.87 86.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.092 0.472 . . . . 10.0 109.838 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.68 120.66 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.133 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.609 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -125.35 105.43 0.83 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.303 -0.951 . . . . 10.0 113.428 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.625 HD23 HD22 ' E' ' 17' ' ' LEU . 7.9 mp -93.79 72.19 4.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ptp -90.99 69.22 6.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 10.0 110.828 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.7 m -102.74 138.85 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.641 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.94 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -146.96 147.52 18.42 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.088 -1.053 . . . . 10.0 112.9 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.56 138.26 9.81 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 1.045 HG21 ' HA3' ' M' ' 33' ' ' GLY . 43.9 t -132.55 122.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.937 0.398 . . . . 10.0 112.017 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.861 ' HB ' HG22 ' D' ' 40' ' ' VAL . 76.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.895 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.63 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.188 0.518 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.839 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.7 t -106.92 100.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.87 125.93 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.965 0.357 . . . . 10.0 111.965 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -127.0 81.17 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.216 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.53 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 9.8 tt0 -103.68 118.24 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.372 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -134.19 130.57 37.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.294 0.569 . . . . 10.0 111.804 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.13 117.0 28.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.579 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.909 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.0 t -117.62 118.24 57.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.127 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.6 129.34 53.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.048 0.451 . . . . 10.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -109.16 126.05 52.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.96 85.36 2.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -104.65 102.07 11.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.866 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.591 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 31.2 m-20 -112.85 115.03 27.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.318 0.58 . . . . 10.0 110.137 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 29.0 m -106.34 31.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.661 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.99 -89.32 0.15 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.074 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -134.51 92.97 2.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.3 m120 -63.45 134.64 56.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.913 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.585 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 2.8 tmtt? -116.97 -53.6 2.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 117.5 120.69 3.1 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.766 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -89.71 159.86 16.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.639 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 17.8 tt -103.98 112.79 38.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.642 0.734 . . . . 10.0 110.543 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.634 HG12 HD12 ' G' ' 32' ' ' ILE . 15.4 mt -114.68 112.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.109 -0.951 . . . . 10.0 110.521 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 103.43 2.21 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.7 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.0 mm? -90.62 76.85 6.47 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.716 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 0.9 OUTLIER -89.62 68.09 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 10.0 109.895 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' E' ' 36' ' ' VAL . 26.3 t -98.94 118.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.506 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.8 149.29 18.73 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.369 -0.919 . . . . 10.0 113.187 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -139.78 143.41 13.74 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.4 -0.68 . . . . 10.0 111.4 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.861 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.4 t -144.97 143.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.286 . . . . 10.0 111.681 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' G' ' 40' ' ' VAL . 8.5 p -155.97 147.34 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 10.0 110.905 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.671 HG23 HG22 ' N' ' 31' ' ' ILE . 0.5 OUTLIER -82.83 126.61 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.182 179.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.949 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.721 ' HA ' HG11 ' H' ' 12' ' ' VAL . 4.4 mt-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.391 0.615 . . . . 10.0 110.727 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.839 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.3 m -109.42 141.2 25.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.773 . . . . 10.0 112.806 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -96.38 105.01 17.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.11 114.63 23.89 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.061 0.458 . . . . 10.0 111.745 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.53 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 1.4 tp60 -126.43 86.07 2.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' G' ' 16' ' ' LYS . 1.7 tmmm? -109.71 114.17 27.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.919 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 32.3 mt -116.05 115.71 26.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.909 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.6 m -128.71 125.73 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.476 0.655 . . . . 10.0 112.489 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -126.35 126.98 44.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.416 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.43 120.21 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.394 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.76 111.85 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.17 123.61 42.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.45 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.48 126.66 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 10.0 110.286 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.0 t -114.81 18.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.249 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.82 -72.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.345 -0.931 . . . . 10.0 113.412 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.46 105.78 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.712 -0.287 . . . . 10.0 110.717 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.79 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 23.3 t-20 -63.49 146.64 53.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.524 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -126.36 -42.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.858 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 105.19 114.47 3.96 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.103 -1.046 . . . . 10.0 112.571 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.743 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -87.62 168.41 13.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.341 . . . . 10.0 111.296 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.61 88.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.301 -0.999 . . . . 10.0 108.301 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.634 HD12 HG12 ' F' ' 32' ' ' ILE . 8.3 mt -99.29 104.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 10.0 111.075 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.432 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -111.25 115.98 4.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.57 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.11 76.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.881 0.372 . . . . 10.0 110.735 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.587 ' HG2' ' HA ' ' H' ' 35' ' ' MET . 0.1 OUTLIER -83.38 80.04 9.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.917 0.865 . . . . 10.0 109.834 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.484 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 39.8 t -97.13 108.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.92 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.37 127.58 7.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.268 -0.968 . . . . 10.0 111.657 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 0.506 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -141.81 116.2 1.06 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.126 -1.035 . . . . 10.0 112.847 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 1.02 ' HB ' HD11 ' O' ' 31' ' ' ILE . 33.9 m -122.89 152.76 27.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 10.0 111.625 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 2.6 p . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' H' ' 12' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.721 HG11 ' HA ' ' G' ' 11' ' ' GLU . 2.9 m -66.46 137.41 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.689 0.281 . . . . 10.0 110.998 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -57.32 127.97 34.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.604 0.964 . . . . 10.0 113.604 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -125.75 95.01 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.994 -1.003 . . . . 10.0 109.324 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -105.2 125.15 50.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.725 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -134.68 119.16 17.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.84 109.82 15.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.892 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.19 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.717 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -132.56 133.92 44.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 10.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.12 130.21 56.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.108 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 90.74 2.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -109.7 142.19 41.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.443 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.39 130.35 20.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.719 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.59 13.78 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.984 0.421 . . . . 10.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.62 -61.94 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.163 -1.018 . . . . 10.0 112.672 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -155.14 102.27 2.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.79 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 28.3 t-20 -51.16 140.05 17.13 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.575 0.547 . . . . 10.0 110.024 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.591 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 22.5 tttp -122.66 167.33 13.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.912 0.387 . . . . 10.0 111.029 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.743 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -87.6 75.88 2.07 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 111.285 -0.726 . . . . 10.0 111.285 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 138.25 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 10.0 110.718 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -91.22 114.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.187 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.45 114.39 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG11 ' P' ' 39' ' ' VAL . . . -122.36 112.47 2.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.908 -0.663 . . . . 10.0 111.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -104.18 93.18 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.693 0.282 . . . . 10.0 111.466 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.587 ' HA ' ' HG2' ' G' ' 35' ' ' MET . 8.6 tpt -88.98 90.4 8.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.126 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 61.5 t -94.15 124.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.274 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -125.35 107.06 0.94 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.198 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.68 127.09 7.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.04 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.32 130.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 9.6 p -155.55 150.74 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.598 0.237 . . . . 10.0 110.669 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 pt -80.47 145.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.754 0.311 . . . . 10.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' G' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.469 -0.777 . . . . 10.0 110.491 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' J' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.044 0.45 . . . . 10.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -118.32 149.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -80.56 92.2 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.608 ' HB2' ' HD2' ' J' ' 14' ' ' HIS . 34.5 m80 -88.96 91.08 8.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.067 0.46 . . . . 10.0 110.385 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -101.85 115.65 30.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.248 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -113.95 122.06 45.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.546 HD21 HD22 ' I' ' 34' ' ' LEU . 39.6 tp -129.14 123.64 32.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.61 135.64 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 10.0 112.381 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -113.47 110.38 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.423 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -92.89 101.05 13.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.678 0.275 . . . . 10.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.65 115.97 31.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.854 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 12.6 mm-40 -90.22 136.85 32.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.212 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.597 ' HA ' HD21 ' J' ' 27' ' ' ASN . 3.8 t0 -112.36 109.33 18.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.078 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.642 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 12.6 t -131.49 -16.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.141 0.496 . . . . 10.0 110.327 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.554 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -116.5 -138.99 6.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.034 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -91.44 114.81 27.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.91 0.355 . . . . 10.0 110.391 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -62.36 153.53 30.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.791 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 24.0 mtpp -148.68 -85.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.798 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 154.58 124.82 0.94 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.472 -0.87 . . . . 10.0 112.463 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -81.68 166.9 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 10.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.604 HD13 ' H ' ' B' ' 42' ' ' ALA . 1.2 mt -117.51 92.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . 0.586 HG22 ' HB ' ' J' ' 32' ' ' ILE . 28.1 pt -110.27 130.32 63.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.34 106.32 1.67 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.706 -0.958 . . . . 10.0 110.706 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.546 HD22 HD21 ' I' ' 17' ' ' LEU . 22.0 mt -95.78 99.49 11.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 10.0 111.627 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.05 18.46 17.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.173 0.511 . . . . 10.0 110.236 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.729 HG12 ' HB ' ' J' ' 36' ' ' VAL . 3.0 m -65.62 128.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.551 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -168.78 -161.67 19.41 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.667 -0.778 . . . . 10.0 112.063 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.35 164.36 23.91 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.384 -0.686 . . . . 10.0 111.384 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.697 HG13 HG23 ' J' ' 39' ' ' VAL . 7.3 p -149.56 133.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 10.0 111.154 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' J' ' 40' ' ' VAL . 2.8 t -130.85 166.09 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 pt -61.62 120.57 7.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 10.0 110.708 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.059 -179.592 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.562 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 43.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.856 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.5 t -105.61 94.76 3.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -69.59 113.65 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.917 0.389 . . . . 10.0 111.325 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.608 ' HD2' ' HB2' ' I' ' 14' ' ' HIS . 35.7 m170 -115.63 91.97 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.305 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -106.45 119.5 39.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.375 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -118.42 107.42 13.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -107.21 98.98 8.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.8 ' HB ' HG12 ' K' ' 18' ' ' VAL . 15.7 t -113.17 117.88 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.611 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 70.0 m-85 -112.06 126.2 54.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.4 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -110.61 128.52 55.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.81 99.66 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.854 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 pt-20 -104.26 92.38 4.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.048 0.452 . . . . 10.0 111.825 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.598 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.9 OUTLIER -78.79 81.18 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.922 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.642 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 21.2 t -80.59 -16.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.863 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.05 -73.46 1.09 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.663 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.554 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 71.6 m -154.0 113.86 3.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.839 0.352 . . . . 10.0 110.407 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.597 HD21 ' HA ' ' I' ' 23' ' ' ASP . 4.9 m120 -60.22 156.04 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.275 -0.875 . . . . 10.0 111.468 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.874 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.4 OUTLIER -150.77 -102.93 0.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.012 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -174.02 96.85 0.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 119.58 -1.295 . . . . 10.0 113.824 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.59 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -79.39 147.79 32.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 1.008 HD11 HG22 ' B' ' 39' ' ' VAL . 1.5 tp -104.44 106.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.631 0.729 . . . . 10.0 111.407 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.586 ' HB ' HG22 ' I' ' 32' ' ' ILE . 13.7 mm -112.89 126.98 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.369 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.04 117.72 3.57 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.762 -0.732 . . . . 10.0 111.537 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.439 HD23 HD13 ' K' ' 34' ' ' LEU . 90.3 mt -109.52 100.64 9.67 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.693 -0.298 . . . . 10.0 110.811 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.534 ' HE1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 mmt -108.53 29.23 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 10.0 109.794 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.729 ' HB ' HG12 ' I' ' 36' ' ' VAL . 16.4 t -70.66 109.46 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.034 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -146.71 136.17 6.08 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.751 -0.737 . . . . 10.0 112.221 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.56 137.34 9.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.512 -0.851 . . . . 10.0 111.871 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.934 HG22 HD12 ' B' ' 31' ' ' ILE . 2.9 p -121.86 128.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 10.0 110.779 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG13 ' I' ' 40' ' ' VAL . 73.2 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 7.3 mm-40 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.121 0.486 . . . . 10.0 110.631 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . 0.856 HG12 ' HB ' ' J' ' 12' ' ' VAL . 5.0 m -94.42 123.96 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -82.96 92.65 7.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.401 -1.333 . . . . 10.0 107.401 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -83.81 105.17 14.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.316 0.579 . . . . 10.0 112.202 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -120.61 98.29 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.086 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -107.42 124.65 50.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.558 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.458 HD23 ' HB2' ' L' ' 17' ' ' LEU . 11.9 mt -125.38 106.46 9.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.8 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.2 m -124.74 130.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.32 0.581 . . . . 10.0 112.209 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 65.7 m-85 -124.75 124.98 43.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.106 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.21 109.25 18.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.772 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.51 112.86 24.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.85 115.39 27.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.611 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.598 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 5.1 t70 -100.86 123.66 45.39 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.799 0.333 . . . . 10.0 111.003 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.75 1.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.066 0.46 . . . . 10.0 110.052 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.39 -69.36 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.341 -0.933 . . . . 10.0 113.603 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -160.73 99.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.682 0.241 . . . . 10.0 110.645 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 54.0 t30 -70.19 148.53 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.923 0.392 . . . . 10.0 111.56 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.874 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 6.5 ttpp -126.05 -89.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.297 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . 179.89 101.53 0.15 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.917 -1.135 . . . . 10.0 113.349 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . 0.496 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -93.8 150.09 20.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.727 ' HA ' HG23 ' J' ' 31' ' ' ILE . 4.2 tt -101.75 115.3 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.612 0.968 . . . . 10.0 113.612 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.524 HG12 HD12 ' L' ' 32' ' ' ILE . 59.4 mt -116.89 108.78 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.082 -0.963 . . . . 10.0 108.778 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . 0.882 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -112.73 114.91 3.58 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.811 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.659 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.75 87.5 3.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.109 0.481 . . . . 10.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.834 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.3 mpp? -93.63 55.47 2.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.615 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.692 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 33.5 t -92.61 125.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.183 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . 0.661 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -148.01 172.39 28.32 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.638 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.39 155.98 27.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.963 -0.637 . . . . 10.0 111.908 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' J' ' 39' ' ' VAL . 11.4 p -144.64 130.77 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.604 HG22 ' HB ' ' L' ' 40' ' ' VAL . 81.9 t -135.64 143.89 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . 0.469 ' HA ' ' CG2' ' C' ' 31' ' ' ILE . 5.5 tp -67.86 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.924 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.596 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . 0.752 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 45.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.305 0.098 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' K' ' 11' ' ' GLU . 1.6 p -164.39 166.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.687 -0.405 . . . . 10.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . 0.46 ' H ' HG22 ' L' ' 12' ' ' VAL . 79.6 t60 -97.42 140.85 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.884 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -131.34 99.14 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.442 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . 0.403 ' HB2' ' NE2' ' L' ' 13' ' ' HIS . 38.2 tt0 -110.4 128.63 55.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.016 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -132.55 115.94 16.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.257 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.458 ' HB2' HD23 ' K' ' 17' ' ' LEU . 7.4 mp -117.36 109.02 16.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.44 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' M' ' 18' ' ' VAL . 11.1 t -120.16 114.84 45.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.921 0.391 . . . . 10.0 110.314 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 25.8 m-85 -116.82 122.94 45.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -106.01 125.15 50.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.727 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 94.02 3.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.533 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.98 103.3 15.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.021 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.9 OUTLIER -100.53 89.96 4.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.114 0.483 . . . . 10.0 110.961 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.612 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 60.4 t -76.28 -28.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.055 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.59 -123.13 4.78 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.32 -0.943 . . . . 10.0 112.628 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -98.73 127.46 44.67 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . 0.68 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.5 OUTLIER -82.41 157.84 23.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' K' ' 28' ' ' LYS . 41.8 tttt -140.03 -103.66 0.16 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 10.0 111.799 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . -165.58 88.8 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.934 -1.126 . . . . 10.0 113.703 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.39 150.88 23.52 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 1.05 HD11 ' HB ' ' D' ' 39' ' ' VAL . 0.8 OUTLIER -112.43 121.45 64.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.546 HG12 HD11 ' M' ' 32' ' ' ILE . 38.2 mt -113.76 110.76 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.719 -1.128 . . . . 10.0 109.371 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . 0.411 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -104.81 109.32 3.28 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.347 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.659 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.0 mm? -99.29 83.55 2.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.968 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.0 mpp? -98.39 80.76 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.184 0.516 . . . . 10.0 110.582 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 14.5 t -111.43 125.41 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.456 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.848 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.55 119.77 1.32 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.21 -0.995 . . . . 10.0 113.215 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.26 145.23 16.5 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.227 -0.749 . . . . 10.0 111.227 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' M' ' 39' ' ' VAL . 1.4 m -131.88 161.16 41.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.96 0.409 . . . . 10.0 111.795 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG22 ' K' ' 40' ' ' VAL . 48.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.901 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . 0.752 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 6.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.724 0.773 . . . . 10.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 19.4 m -119.33 139.47 46.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.291 -0.868 . . . . 10.0 111.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' N' ' 13' ' ' HIS . 6.0 t60 -80.99 102.3 10.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.999 -1.112 . . . . 10.0 107.999 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 100.94 12.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.312 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . 0.596 HE22 HG21 ' M' ' 36' ' ' VAL . 23.4 tt0 -118.58 109.38 16.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.372 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 10.0 111.569 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.826 HD22 HD23 ' M' ' 34' ' ' LEU . 4.2 mp -121.19 117.93 28.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.293 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.5 m -124.32 126.39 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.291 0.567 . . . . 10.0 111.977 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . 0.52 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 22.0 m-85 -120.05 123.13 42.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.313 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -109.77 99.98 9.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.303 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.37 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -122.94 111.77 17.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.506 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.86 131.92 51.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.612 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.5 t -119.95 11.08 6.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.576 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.35 -69.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.177 -1.011 . . . . 10.0 113.156 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -157.15 109.84 2.49 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.64 -0.33 . . . . 10.0 110.799 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . 0.479 HD22 ' CG ' ' L' ' 23' ' ' ASP . 12.0 t-20 -73.06 166.71 22.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.7 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 0.0 OUTLIER -145.96 -102.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.489 ' H ' ' HB3' ' M' ' 28' ' ' LYS . . . -150.12 78.09 0.22 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.518 -1.325 . . . . 10.0 114.31 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.37 133.65 35.23 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.875 HG23 HG12 ' N' ' 31' ' ' ILE . 8.4 tt -112.58 117.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.923 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.0 pt -115.9 123.8 71.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.085 -0.961 . . . . 10.0 110.344 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . 1.045 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -114.69 117.0 3.93 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.671 -0.776 . . . . 10.0 112.406 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.826 HD23 HD22 ' M' ' 17' ' ' LEU . 7.2 mp -104.49 83.54 2.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.76 0.314 . . . . 10.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.94 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.9 mpp? -95.91 89.67 5.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.818 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.596 HG21 HE22 ' M' ' 15' ' ' GLN . 1.2 p -124.98 125.7 70.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.598 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -145.86 169.07 27.38 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.492 -0.861 . . . . 10.0 112.213 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.41 139.72 5.87 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.864 -0.684 . . . . 10.0 111.564 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' L' ' 39' ' ' VAL . 34.9 m -127.51 130.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.539 -0.171 . . . . 10.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.587 ' CG1' ' HB ' ' N' ' 40' ' ' VAL . 13.4 m -146.42 169.76 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . 0.456 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 1.9 mm -148.16 118.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.055 . . . . 10.0 108.509 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.601 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.976 0.417 . . . . 10.0 111.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.435 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.3 OUTLIER -81.38 136.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.643 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' M' ' 13' ' ' HIS . 68.1 t60 -64.89 128.3 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.541 -0.754 . . . . 10.0 112.065 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -122.59 87.96 2.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' HB3' ' O' ' 15' ' ' GLN . 18.7 tt0 -99.85 127.06 46.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -130.36 113.45 14.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.089 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.464 HD22 HD13 ' N' ' 34' ' ' LEU . 5.6 mp -111.91 120.56 42.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.462 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 4.8 t -122.77 118.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.006 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . 0.457 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 61.3 m-85 -122.26 122.16 38.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.714 0.292 . . . . 10.0 111.017 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -105.71 125.66 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.332 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 102.01 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -110.38 104.55 13.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.69 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 52.6 m-20 -100.09 93.64 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.423 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.532 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 98.3 t -75.53 -28.34 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.18 -73.09 1.07 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.46 -0.876 . . . . 10.0 112.006 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 41.9 t -177.87 132.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 15.4 p30 -93.49 157.69 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 10.0 111.208 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.7 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 22.8 tptm -115.4 -80.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.548 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.73 94.56 0.13 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -101.74 145.95 28.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.875 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -119.45 116.69 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.885 0.85 . . . . 10.0 112.496 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.923 ' HB ' HG22 ' M' ' 32' ' ' ILE . 72.1 mt -108.67 112.27 39.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . 0.754 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -106.94 118.89 5.74 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.274 -0.965 . . . . 10.0 113.41 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.751 HD12 ' HG ' ' M' ' 34' ' ' LEU . 77.5 mt -111.33 101.84 10.28 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.55 ' O ' ' HA ' ' O' ' 35' ' ' MET . 6.4 mtm -117.18 98.16 6.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.066 0.46 . . . . 10.0 110.059 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.9 p -130.17 129.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.172 0.51 . . . . 10.0 111.317 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.716 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.74 139.18 9.17 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.802 -0.713 . . . . 10.0 111.623 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.3 151.15 20.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.735 -0.745 . . . . 10.0 111.847 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 22.6 m -134.37 136.34 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.776 0.322 . . . . 10.0 111.542 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.587 ' HB ' ' CG1' ' M' ' 40' ' ' VAL . 74.7 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . 0.729 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 33.3 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.92 0.391 . . . . 10.0 110.802 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.56 179.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.945 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -119.41 114.55 22.49 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -99.05 102.63 14.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.005 0.431 . . . . 10.0 111.559 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . 0.564 ' HB3' ' HG3' ' N' ' 15' ' ' GLN . 3.3 mt-30 -112.46 99.78 8.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 40.2 mtmt -111.51 116.76 31.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.072 0.463 . . . . 10.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.19 113.82 25.17 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.3 p -129.81 122.72 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.479 0.657 . . . . 10.0 112.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.49 135.7 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.387 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -113.66 117.5 31.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 105.04 9.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -116.91 124.52 49.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.838 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . 0.442 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.8 t70 -108.28 141.88 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.382 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 2.8 t -125.74 8.22 4.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.839 0.352 . . . . 10.0 110.793 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 119.669 -1.253 . . . . 10.0 114.327 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.03 105.01 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.885 0.343 . . . . 10.0 111.191 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.882 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 49.8 t-20 -89.02 103.46 16.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.864 0.364 . . . . 10.0 110.727 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' P' ' 28' ' ' LYS . 1.0 OUTLIER -72.06 -47.1 54.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.354 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 117.57 124.6 3.49 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.267 -0.968 . . . . 10.0 113.251 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . 0.724 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -108.22 176.33 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 1.02 HD11 ' HB ' ' G' ' 39' ' ' VAL . 0.3 OUTLIER -125.73 109.66 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.68 0.753 . . . . 10.0 110.683 178.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.489 HD11 HG12 ' N' ' 32' ' ' ILE . 5.1 pt -110.64 110.66 32.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.18 -0.918 . . . . 10.0 109.418 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.46 116.56 5.37 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.371 -0.919 . . . . 10.0 112.565 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.04 102.76 12.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.5 mtm -117.58 103.23 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.092 0.472 . . . . 10.0 110.85 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.847 HG12 ' HB ' ' P' ' 36' ' ' VAL . 4.2 m -124.72 139.38 51.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.924 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.98 147.11 18.98 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -145.14 138.32 7.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.847 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.432 HG11 ' HA3' ' G' ' 33' ' ' GLY . 1.4 m -126.72 151.62 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' P' ' 40' ' ' VAL . 7.0 p -170.05 145.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 110.913 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 30.3 mm -107.6 107.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 10.0 109.912 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.956 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . 0.729 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 1.1 pm0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.126 0.489 . . . . 10.0 110.787 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.28 135.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.312 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -95.59 125.53 40.25 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.731 -0.388 . . . . 10.0 110.432 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -111.09 112.43 24.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.018 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -129.5 97.05 4.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 12.3 ptmt -117.48 119.55 35.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.55 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.82 119.81 40.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.626 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -120.95 119.67 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.68 134.87 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.72 139.13 46.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.368 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.64 91.98 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 10.0 110.737 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -125.59 123.58 39.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . 0.607 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 7.1 t0 -125.02 130.07 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.151 0.5 . . . . 10.0 110.131 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . 0.606 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 33.4 m -93.58 5.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.924 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.84 -78.68 0.28 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.111 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -133.76 106.46 7.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.535 0.207 . . . . 10.0 110.563 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.882 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.7 m120 -74.41 75.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' O' ' 28' ' ' LYS . 8.3 mmmm -58.83 -64.5 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.489 0.661 . . . . 10.0 109.893 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . 0.724 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 91.12 151.35 26.51 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 115.295 -0.866 . . . . 10.0 112.089 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.35 -170.17 2.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.562 HD11 HG23 ' G' ' 39' ' ' VAL . 1.6 tt -105.6 118.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.13 0.491 . . . . 10.0 111.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.38 127.43 72.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.55 114.65 3.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.596 -0.812 . . . . 10.0 112.801 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.14 87.55 2.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA2' ' H' ' 37' ' ' GLY . 2.8 mpt? -100.77 103.85 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.77 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . 0.847 ' HB ' HG12 ' O' ' 36' ' ' VAL . 44.9 t -126.05 121.41 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.97 134.87 8.38 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.543 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . 0.489 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -128.36 127.64 5.73 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.574 -0.611 . . . . 10.0 111.574 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.58 HG11 ' HA3' ' H' ' 33' ' ' GLY . 15.9 m -117.04 126.04 74.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.936 0.398 . . . . 10.0 111.367 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 47.3 t . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 10.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.552 ' HG3' HG22 ' B' ' 12' ' ' VAL . 20.2 mm-40 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.195 -0.298 . . . . 10.0 110.195 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -103.41 165.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -177.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.42 ' H ' HG12 ' A' ' 12' ' ' VAL . 27.9 t60 -102.2 116.8 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.561 -1.199 . . . . 10.0 107.998 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -103.37 113.28 26.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.016 0.436 . . . . 10.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.03 115.41 20.49 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.873 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -130.26 122.46 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.67 104.73 9.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -115.87 123.04 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -109.53 110.67 21.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.116 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.74 100.24 10.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -106.97 119.93 40.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.923 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 2.5 mm-40 -85.59 167.18 15.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.02 103.68 4.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.442 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.2 t -132.46 -32.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.055 0.455 . . . . 10.0 110.246 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -104.86 -159.3 23.59 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.069 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -64.01 122.29 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.385 0.274 . . . . 10.0 110.492 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.38 156.88 35.42 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 16.7 tptm -153.25 -99.03 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.564 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.18 128.53 0.96 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.978 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.5 174.31 9.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 10.0 111.788 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 mm -121.38 92.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.798 HG22 ' HB ' ' B' ' 32' ' ' ILE . 11.7 pt -117.38 126.46 74.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.226 0.536 . . . . 10.0 112.21 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.14 116.43 3.62 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.573 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD23 HD23 ' B' ' 34' ' ' LEU . 80.3 mt -99.68 99.33 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.808 0.337 . . . . 10.0 111.266 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.76 18.72 18.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.106 0.479 . . . . 10.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 43.3 t -62.86 129.02 25.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.738 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.8 166.29 34.39 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.525 -0.845 . . . . 10.0 112.265 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -165.13 151.44 20.31 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.051 -0.82 . . . . 10.0 111.051 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG13 HG23 ' B' ' 39' ' ' VAL . 3.3 p -153.53 129.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.966 0.413 . . . . 10.0 111.167 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.084 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.981 0.419 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -107.15 94.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -77.55 111.44 13.28 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.14 89.59 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.368 0.604 . . . . 10.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -106.13 105.29 15.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -122.1 121.69 37.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.251 0.548 . . . . 10.0 111.958 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.12 115.24 27.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.183 -0.917 . . . . 10.0 109.619 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.553 ' HB ' HG23 ' C' ' 18' ' ' VAL . 11.0 t -116.53 120.41 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.08 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.442 ' CZ ' HD11 ' B' ' 34' ' ' LEU . 84.1 m-85 -118.23 121.11 39.65 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' C' ' 20' ' ' PHE . 17.3 m-85 -108.14 121.84 45.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -138.53 95.83 3.05 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 3.9 pt-20 -105.61 94.9 5.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.5 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -79.95 89.6 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.758 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.662 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.7 t -87.65 -21.24 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.46 -65.97 1.11 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.194 -1.003 . . . . 10.0 111.475 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 49.4 m -157.72 119.52 3.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.2 m120 -64.63 153.33 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.157 0.504 . . . . 10.0 110.821 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 4.9 tppt? -147.61 -110.97 0.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.628 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -170.24 104.63 0.21 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.928 -1.129 . . . . 10.0 112.973 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -82.62 148.65 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' C' ' 31' ' ' ILE . 14.3 mm -97.73 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.798 ' HB ' HG22 ' A' ' 32' ' ' ILE . 57.8 mt -120.57 120.83 63.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.055 0.455 . . . . 10.0 111.37 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.437 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -116.89 122.81 5.59 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.764 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -109.05 91.64 3.72 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.364 -0.235 . . . . 10.0 110.364 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -105.65 41.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.227 0.537 . . . . 10.0 110.471 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 28.0 t -78.66 109.14 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.378 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.88 140.34 11.5 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.709 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -139.74 135.39 7.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.035 -0.603 . . . . 10.0 111.778 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.805 HG23 HG13 ' A' ' 39' ' ' VAL . 12.1 p -129.59 133.85 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.017 0.437 . . . . 10.0 111.46 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' C' ' 40' ' ' VAL . 67.5 t -131.25 141.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.592 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.801 HG12 HG21 ' J' ' 31' ' ' ILE . 19.5 mt -60.01 129.95 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.587 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.592 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.668 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.998 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.009 0.433 . . . . 10.0 111.276 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.519 HG12 ' HB ' ' B' ' 12' ' ' VAL . 3.8 m -98.92 113.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -83.69 93.56 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.24 102.42 14.46 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.233 0.54 . . . . 10.0 111.965 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -115.63 92.66 3.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.293 -0.867 . . . . 10.0 108.919 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.634 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 84.5 tttt -105.93 119.89 40.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.314 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.485 HD13 HD23 ' C' ' 34' ' ' LEU . 21.3 mt -119.94 111.51 18.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.434 -0.95 . . . . 10.0 108.434 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.553 HG23 ' HB ' ' B' ' 18' ' ' VAL . 10.4 p -131.58 130.73 62.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.597 0.713 . . . . 10.0 112.676 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' D' ' 19' ' ' PHE . 52.3 m-85 -124.72 126.61 45.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.069 -0.968 . . . . 10.0 110.031 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.408 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . 98.0 m-85 -110.08 114.82 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.896 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.78 102.93 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.088 0.47 . . . . 10.0 109.763 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.509 ' HA ' ' HG3' ' B' ' 22' ' ' GLU . 53.0 mt-10 -102.12 129.05 48.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.909 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 1.7 t70 -117.63 124.04 47.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.678 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 17.4 m -128.46 13.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.129 0.49 . . . . 10.0 109.841 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -130.25 -63.47 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.005 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.1 p -175.17 90.63 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.524 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 64.2 t30 -62.56 151.57 37.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.325 0.583 . . . . 10.0 112.43 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 71.9 tttt -132.39 -98.95 0.29 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.307 -0.86 . . . . 10.0 110.402 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -169.28 106.6 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.565 -1.302 . . . . 10.0 113.524 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.42 153.68 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.654 HD12 HG22 ' K' ' 39' ' ' VAL . 7.0 pt -102.59 118.92 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.713 0.768 . . . . 10.0 112.094 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -123.06 101.14 9.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.99 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.54 109.43 3.44 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.642 -0.789 . . . . 10.0 112.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.618 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.3 mp -97.95 79.26 2.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.1 0.476 . . . . 10.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.804 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.5 mpp? -94.64 60.49 2.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.45 0.643 . . . . 10.0 110.118 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.7 t -91.75 120.14 40.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.145 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.856 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -134.85 147.0 18.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.199 -1.001 . . . . 10.0 113.225 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.92 145.49 17.21 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.933 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.2 t -137.7 131.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.769 0.319 . . . . 10.0 111.237 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' B' ' 40' ' ' VAL . 72.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.176 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 40.8 mt-10 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.482 0.182 . . . . 10.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.998 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 4.3 p -131.24 149.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.832 -0.347 . . . . 10.0 111.433 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 134.06 34.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.862 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.04 94.43 3.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.092 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 27.8 pt20 -116.48 132.59 56.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 10.0 111.506 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.634 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 36.9 ttpt -134.65 121.4 20.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.656 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.3 115.16 28.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.538 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.775 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.1 t -122.34 116.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.634 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' C' ' 19' ' ' PHE . 22.9 m-85 -118.68 125.35 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.674 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -108.87 121.62 45.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.85 105.3 8.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -109.04 101.18 10.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.29 118.26 31.05 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' CG2' ' C' ' 24' ' ' VAL . 69.3 t -109.65 -30.77 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.2 -103.71 1.32 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.601 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.474 ' H ' ' HA ' ' E' ' 26' ' ' SER . 0.8 OUTLIER -120.41 106.54 11.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.524 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -63.26 149.9 44.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.828 0.347 . . . . 10.0 110.874 -179.503 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 27.5 tttm -135.43 -84.71 0.39 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.836 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.87 102.81 0.16 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.021 -1.085 . . . . 10.0 113.596 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.707 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -87.02 161.88 17.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 1.039 HD11 HG23 ' E' ' 31' ' ' ILE . 2.0 pt -110.72 115.42 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.862 0.839 . . . . 10.0 111.473 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.08 108.69 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.771 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.875 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.8 110.45 3.41 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.663 -0.779 . . . . 10.0 112.207 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.2 mm? -97.54 84.62 3.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.611 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 10.7 mtm -100.54 71.84 1.54 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.171 0.51 . . . . 10.0 110.336 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.491 ' HB ' HG13 ' C' ' 36' ' ' VAL . 23.9 t -98.97 123.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.908 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.966 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -138.88 143.53 14.25 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.08 -1.057 . . . . 10.0 112.687 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 133.95 4.7 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.867 HG23 HD11 ' M' ' 31' ' ' ILE . 12.1 m -131.19 141.15 46.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.033 0.444 . . . . 10.0 112.191 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' E' ' 40' ' ' VAL . 39.5 t -131.45 132.08 62.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.344 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.17 131.5 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 10.0 111.096 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.657 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.842 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 4.4 mp0 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.624 0.726 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.43 142.44 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.996 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -90.42 106.93 18.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 106.65 18.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.7 tp60 -118.91 103.97 10.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -118.31 126.04 51.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.239 0.542 . . . . 10.0 111.759 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' F' ' 17' ' ' LEU . 13.0 mt -119.83 111.7 18.31 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.5 OUTLIER -122.71 119.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.321 0.581 . . . . 10.0 112.05 -179.04 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -120.64 124.0 44.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.595 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 108.94 9.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.044 0.45 . . . . 10.0 110.146 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.55 132.95 55.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.87 150.72 30.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.454 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 2.1 t -138.54 10.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.669 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' D' ' 25' ' ' GLY . . . -142.19 -57.81 0.03 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.249 -0.977 . . . . 10.0 114.136 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.474 ' HA ' ' H ' ' D' ' 26' ' ' SER . 0.3 OUTLIER -168.69 124.45 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.014 0.407 . . . . 10.0 110.853 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -86.5 164.2 17.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 111.374 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.49 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 12.9 mttt -142.48 -97.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.378 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.707 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -172.42 103.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.964 -1.112 . . . . 10.0 113.631 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.62 149.72 27.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 1.039 HG23 HD11 ' D' ' 31' ' ' ILE . 7.9 mt -103.67 88.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.37 117.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.212 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.502 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -123.46 106.05 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.101 -1.047 . . . . 10.0 113.361 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -96.41 88.86 4.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -105.07 72.23 0.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.591 0.71 . . . . 10.0 110.451 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' F' ' 36' ' ' VAL . 31.3 m -101.38 133.72 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.609 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -138.41 152.52 22.02 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.413 -0.899 . . . . 10.0 112.729 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 128.93 4.19 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.927 HG21 ' HA3' ' M' ' 33' ' ' GLY . 55.2 t -126.29 117.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.061 0.458 . . . . 10.0 111.828 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' D' ' 40' ' ' VAL . 60.7 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.814 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.783 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 2.3 tp10 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.315 -0.254 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.983 ' HB ' HG12 ' G' ' 12' ' ' VAL . 7.2 t -89.82 91.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -71.92 126.68 30.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.431 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -125.3 97.24 5.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.175 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 8.1 tt0 -112.89 115.75 28.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -130.37 123.7 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.382 0.61 . . . . 10.0 112.385 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' E' ' 17' ' ' LEU . 7.3 mp -113.76 117.24 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.057 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.941 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.2 t -119.96 118.44 56.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -120.11 123.19 42.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -107.11 129.11 54.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.153 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.19 109.0 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.801 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -121.15 100.21 6.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.252 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.53 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 35.7 m-20 -103.16 104.3 14.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.351 0.596 . . . . 10.0 109.57 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.657 HG22 ' HA ' ' G' ' 24' ' ' VAL . 17.2 m -93.15 7.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.017 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' G' ' 25' ' ' GLY . . . -117.91 -90.91 1.46 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.023 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -137.83 100.35 4.16 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.53 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.77 142.27 58.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.179 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -124.38 -70.29 0.76 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 144.69 106.6 0.53 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 119.831 -1.176 . . . . 10.0 114.277 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -86.06 155.28 20.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.657 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 18.0 tt -104.93 111.82 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.705 0.764 . . . . 10.0 111.717 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.558 HG12 HD12 ' G' ' 32' ' ' ILE . 38.3 mt -114.71 114.26 46.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.676 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.81 111.09 3.44 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.282 -0.727 . . . . 10.0 111.282 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.2 mm? -95.09 72.61 3.38 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.456 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -84.42 70.51 10.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.815 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.2 t -103.31 110.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.243 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.485 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -120.81 146.63 17.57 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.538 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 142.54 13.53 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.983 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.8 t -134.96 135.46 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 122.095 0.158 . . . . 10.0 110.631 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.452 HG23 HG13 ' G' ' 40' ' ' VAL . 7.5 p -151.02 145.37 16.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.619 0.247 . . . . 10.0 110.537 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 tt -99.41 144.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.768 0.318 . . . . 10.0 110.593 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.939 -179.736 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' F' ' 11' ' ' GLU . 2.4 mt-10 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.334 0.587 . . . . 10.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.983 HG12 ' HB ' ' F' ' 12' ' ' VAL . 12.7 m -122.8 133.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.775 . . . . 10.0 112.112 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -92.65 100.21 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 103.87 14.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.11 0.481 . . . . 10.0 112.072 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 4.2 tp60 -106.55 96.02 6.16 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.74 110.48 21.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.478 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' H' ' 17' ' ' LEU . 15.3 mt -118.1 113.83 22.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.941 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -131.67 131.06 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.3 127.14 42.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.66 119.35 37.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.774 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 117.6 30.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.8 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -120.57 115.09 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.783 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.415 ' O ' HG22 ' F' ' 24' ' ' VAL . 10.3 t70 -110.98 125.51 53.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.898 0.38 . . . . 10.0 110.343 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.657 ' HA ' HG22 ' F' ' 24' ' ' VAL . 2.9 t -114.7 9.5 7.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.094 0.474 . . . . 10.0 110.406 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' F' ' 25' ' ' GLY . . . -139.81 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.99 -1.1 . . . . 10.0 113.866 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -150.39 103.2 3.12 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.633 -0.334 . . . . 10.0 111.184 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.729 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 21.0 t-20 -62.06 146.86 49.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.364 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' H' ' 28' ' ' LYS . 25.4 tttp -126.18 -84.77 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 169.35 104.24 0.17 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 119.855 -1.164 . . . . 10.0 113.605 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' CA ' ' H' ' 29' ' ' GLY . . . -84.97 154.67 22.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.547 HD12 HG23 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -101.28 94.41 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.558 HD12 HG12 ' F' ' 32' ' ' ILE . 60.2 mt -104.52 105.14 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 10.0 110.842 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -109.69 92.97 0.73 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.607 HD21 HD13 ' G' ' 17' ' ' LEU . 14.5 tp -87.88 69.93 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 10.0 110.077 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HB2' ' H' ' 35' ' ' MET . 8.6 ptp -81.79 83.36 7.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.8 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.732 HG13 ' HB ' ' H' ' 36' ' ' VAL . 62.8 t -101.72 122.83 54.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.43 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' SD ' ' O' ' 35' ' ' MET . . . -127.26 141.84 12.99 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.52 -0.847 . . . . 10.0 112.172 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.27 120.86 1.21 Allowed Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.577 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.983 HG12 ' HB ' ' F' ' 39' ' ' VAL . 34.7 m -126.85 133.76 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.369 0.604 . . . . 10.0 111.329 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.631 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -56.25 133.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 123.437 0.461 . . . . 10.0 109.969 178.301 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.69 133.61 53.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -115.65 115.16 25.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.59 112.74 19.3 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.002 0.429 . . . . 10.0 111.459 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -119.44 111.26 17.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.491 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD23 ' G' ' 17' ' ' LEU . 7.2 mp -116.82 111.05 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.307 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -120.28 125.38 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.553 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.01 133.54 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -113.54 127.72 56.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.822 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.05 83.07 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.215 0.531 . . . . 10.0 109.857 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.22 160.41 14.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.217 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -154.67 138.05 15.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.401 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.48 20.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.29 -73.41 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -147.18 94.65 2.43 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.729 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 25.0 t-20 -52.47 126.36 19.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 0.7 OUTLIER -104.82 -90.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.053 0.454 . . . . 10.0 110.366 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.419 ' CA ' ' HA ' ' G' ' 30' ' ' ALA . . . 160.61 113.57 0.32 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.669 -0.777 . . . . 10.0 112.319 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.09 158.12 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.868 0.366 . . . . 10.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.547 HG23 HD12 ' G' ' 31' ' ' ILE . 1.7 mp -97.18 99.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.39 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -110.17 107.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.812 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.52 77.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.753 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.86 109.93 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.938 0.399 . . . . 10.0 110.701 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.535 ' HB2' ' HG3' ' G' ' 35' ' ' MET . 12.6 ttm -112.1 113.36 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.732 ' HB ' HG13 ' G' ' 36' ' ' VAL . 82.6 t -98.59 123.71 51.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.6 90.6 0.59 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.022 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.53 115.41 5.13 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.72 128.31 62.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.0 p -158.07 152.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.557 0.217 . . . . 10.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.69 158.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.905 0.384 . . . . 10.0 111.053 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.556 -0.735 . . . . 10.0 110.521 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' J' ' 11' ' ' GLU . 2.7 mp0 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.45 178.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.545 0.688 . . . . 10.0 112.534 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -101.59 113.48 26.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.662 -1.154 . . . . 10.0 109.298 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -99.62 101.65 12.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.74 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.57 117.76 35.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.595 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -121.61 115.51 22.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.072 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mp -128.35 106.21 8.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.91 134.09 60.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.262 0.553 . . . . 10.0 112.384 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.68 109.82 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.662 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -92.59 97.52 10.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 10.0 110.749 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.71 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.399 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 0.3 OUTLIER -84.47 164.73 18.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.203 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.87 108.02 6.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.105 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.579 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 14.6 t -136.46 -28.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.91 0.386 . . . . 10.0 110.723 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -112.69 -157.79 13.3 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.214 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 1.2 m -65.87 124.8 23.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.787 0.293 . . . . 10.0 110.42 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' J' ' 27' ' ' ASN . 1.0 OUTLIER -77.92 150.61 34.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.279 . . . . 10.0 111.675 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.432 ' HD3' ' HG3' ' J' ' 28' ' ' LYS . 15.9 mtpt -141.58 -90.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.29 121.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.086 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.75 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -78.95 168.94 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.039 0.447 . . . . 10.0 112.088 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.592 HD13 ' H ' ' B' ' 42' ' ' ALA . 16.1 mt -112.33 88.53 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.401 -0.963 . . . . 10.0 108.401 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.78 131.1 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 10.0 111.852 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.45 114.01 2.36 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.174 -0.771 . . . . 10.0 111.174 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -105.32 103.99 13.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.731 0.301 . . . . 10.0 111.518 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -116.97 16.61 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.243 0.544 . . . . 10.0 109.583 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' J' ' 36' ' ' VAL . 41.0 t -62.7 133.5 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.089 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . 0.523 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -170.03 -173.69 37.63 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.79 -0.719 . . . . 10.0 111.913 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 160.87 24.38 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.27 -0.732 . . . . 10.0 111.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.542 HG13 HG23 ' J' ' 39' ' ' VAL . 8.1 p -152.33 141.63 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.82 0.31 . . . . 10.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.791 HG12 ' HB ' ' J' ' 40' ' ' VAL . 4.1 m -132.71 -173.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 pt -88.06 125.36 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.212 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.483 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HG3' ' I' ' 11' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.936 0.398 . . . . 10.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.716 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.8 t -102.97 107.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -83.6 118.46 23.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.24 87.98 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.847 0.356 . . . . 10.0 110.257 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.2 103.62 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.997 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -114.17 108.68 17.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.697 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' K' ' 17' ' ' LEU . 6.5 mp -110.62 106.36 15.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.841 ' HB ' HG12 ' K' ' 18' ' ' VAL . 28.0 t -115.16 118.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.506 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.435 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 79.7 m-85 -113.95 127.62 56.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.625 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -113.27 126.86 55.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.572 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.49 93.56 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.947 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 6.7 pt-20 -100.5 93.43 5.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -78.35 85.73 4.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.968 179.035 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.579 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 47.5 t -83.12 -26.07 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.16 -67.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.011 -1.09 . . . . 10.0 111.433 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 0.0 OUTLIER -156.75 121.91 4.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' I' ' 27' ' ' ASN . 8.4 m120 -65.73 156.73 32.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.35 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.746 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.0 OUTLIER -151.76 -116.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.208 178.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.75 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -156.31 87.99 0.12 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 119.848 -1.168 . . . . 10.0 114.009 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.504 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -75.68 141.24 42.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' K' ' 31' ' ' ILE . 1.5 tt -101.82 110.34 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 10.0 111.908 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -117.57 117.89 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.321 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.74 116.1 3.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.638 -0.791 . . . . 10.0 111.352 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.435 HD21 ' CZ ' ' J' ' 19' ' ' PHE . 40.8 mt -107.08 100.22 9.72 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.645 -0.327 . . . . 10.0 111.141 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mmt -107.65 34.33 3.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.192 0.52 . . . . 10.0 110.113 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 22.3 t -72.29 118.7 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.918 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -151.61 137.32 5.92 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.214 -0.993 . . . . 10.0 112.977 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.87 139.0 10.58 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.567 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.59 HG13 HG23 ' K' ' 39' ' ' VAL . 3.6 p -130.0 127.89 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.95 0.405 . . . . 10.0 110.996 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.791 ' HB ' HG12 ' I' ' 40' ' ' VAL . 62.1 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.487 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 31.4 mm-40 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.658 0.265 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -109.07 114.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 10.0 111.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -79.73 94.07 5.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -84.91 105.67 15.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.423 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -122.81 89.63 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.675 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -105.77 124.48 49.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.088 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.613 HD13 HD23 ' K' ' 34' ' ' LEU . 11.9 mt -123.41 111.71 16.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.408 -0.814 . . . . 10.0 108.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.841 HG12 ' HB ' ' J' ' 18' ' ' VAL . 5.5 m -124.86 130.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.313 0.577 . . . . 10.0 112.425 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -125.84 118.69 26.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.202 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -107.36 109.05 20.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.879 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.64 109.88 19.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 50.8 mt-10 -112.96 117.1 31.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.232 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -108.06 129.95 55.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.704 -0.225 . . . . 10.0 110.538 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 6.8 m -131.83 17.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.127 0.489 . . . . 10.0 109.92 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.4 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.241 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 89.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.536 0.334 . . . . 10.0 110.685 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 58.8 t30 -62.38 151.29 37.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 10.0 111.863 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.746 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 42.0 tttp -131.66 -92.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.067 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -170.7 104.52 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.592 -1.289 . . . . 10.0 113.697 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 139.46 34.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.913 ' HA ' HG23 ' J' ' 31' ' ' ILE . 0.3 OUTLIER -94.72 110.74 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 10.0 112.708 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.23 113.52 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.984 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . 0.933 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -117.76 119.68 4.49 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.598 -0.811 . . . . 10.0 112.735 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.675 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 7.3 mp -101.43 88.19 3.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 10.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.856 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.8 mpp? -94.57 61.15 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.742 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 24.0 t -95.3 115.14 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.033 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . 0.804 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -140.49 149.51 20.97 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.727 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.68 150.96 23.22 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.73 -0.748 . . . . 10.0 112.077 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.704 HG13 ' HB ' ' L' ' 39' ' ' VAL . 4.8 p -136.22 126.4 40.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 10.0 110.547 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.455 HG13 ' HB ' ' L' ' 40' ' ' VAL . 44.6 t -123.45 142.79 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.098 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . 0.623 ' HA ' HG21 ' C' ' 31' ' ' ILE . 20.4 tt -81.32 134.45 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.95 0.405 . . . . 10.0 111.308 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.257 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' M' ' 11' ' ' GLU . 81.2 mt-10 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 111.519 0.192 . . . . 10.0 111.519 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.535 HG22 ' H ' ' L' ' 13' ' ' HIS . 1.5 p -118.33 166.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . 0.535 ' H ' HG22 ' L' ' 12' ' ' VAL . 82.5 t60 -103.11 133.74 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.184 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -122.59 106.36 10.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -116.67 121.4 41.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.098 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -130.89 117.04 18.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 10.0 111.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.3 115.78 28.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.36 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.898 ' HB ' HG12 ' M' ' 18' ' ' VAL . 18.6 t -122.4 115.39 45.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.486 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -119.12 124.37 46.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -109.66 124.76 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.53 101.6 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -107.21 102.34 11.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.28 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.493 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.0 OUTLIER -96.63 98.24 10.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.125 -179.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 96.6 t -82.05 -32.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.04 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.53 -140.86 11.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.199 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -81.52 127.4 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . 0.622 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.6 OUTLIER -82.64 156.51 23.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 3.0 ttpt -136.78 -81.69 0.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.11 100.67 0.16 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.641 -1.266 . . . . 10.0 113.942 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -89.16 162.26 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.079 -1.082 . . . . 10.0 108.079 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.846 HD11 ' HB ' ' D' ' 39' ' ' VAL . 3.4 tt -121.17 124.2 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.232 -0.587 . . . . 10.0 112.207 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -120.39 110.5 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.263 -0.881 . . . . 10.0 109.81 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . 0.761 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -100.71 109.17 3.61 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.675 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -94.89 78.06 3.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.828 0.347 . . . . 10.0 110.7 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.966 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 4.9 mpp? -90.72 77.83 6.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.285 0.564 . . . . 10.0 109.784 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 23.9 t -105.83 125.58 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.09 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -140.31 158.51 25.95 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.341 -0.933 . . . . 10.0 112.727 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.71 138.54 5.48 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 1.052 HG13 HG12 ' M' ' 39' ' ' VAL . 0.3 OUTLIER -138.07 136.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.192 0.52 . . . . 10.0 112.144 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.455 ' HB ' HG13 ' K' ' 40' ' ' VAL . 69.5 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.079 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . 0.49 ' HB3' ' HG3' ' L' ' 11' ' ' GLU . 71.3 mm-40 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.167 0.508 . . . . 10.0 111.251 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 20.5 m -115.11 138.32 45.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.343 0.592 . . . . 10.0 112.284 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -79.67 111.43 15.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.873 -1.158 . . . . 10.0 107.873 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.07 97.41 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 10.0 111.028 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -104.3 108.88 20.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.609 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . 0.559 ' HB3' ' HG2' ' N' ' 16' ' ' LYS . 82.6 tttt -122.66 121.53 36.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.273 0.559 . . . . 10.0 111.59 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -121.34 114.16 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.4 OUTLIER -126.2 124.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.307 0.575 . . . . 10.0 112.35 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . 0.607 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 20.2 m-85 -123.93 128.74 49.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.448 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -117.95 110.43 17.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.267 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.8 117.47 31.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -126.93 114.66 18.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.473 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.32 136.68 47.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.493 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.683 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -124.01 16.63 4.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.679 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.86 -66.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.897 -1.144 . . . . 10.0 113.776 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 33.2 m -158.16 98.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.582 -0.364 . . . . 10.0 110.772 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.16 140.89 43.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.317 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' L' ' 28' ' ' LYS . 9.0 mttp -114.16 -100.47 0.43 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.36 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -164.16 90.51 0.1 Allowed Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.801 -1.19 . . . . 10.0 113.654 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -80.0 137.06 36.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.867 HD11 HG23 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -96.08 107.02 19.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.385 0.612 . . . . 10.0 111.429 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.09 128.61 67.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.725 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . 0.927 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -132.07 121.64 3.09 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.293 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.4 mp -108.15 98.5 8.04 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.557 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.8 mtm -105.06 93.04 4.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.484 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' N' ' 36' ' ' VAL . 2.1 p -127.12 121.25 57.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.281 0.563 . . . . 10.0 111.057 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -144.68 172.44 25.61 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.114 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.19 9.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.076 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . 1.052 HG12 HG13 ' L' ' 39' ' ' VAL . 32.8 m -128.35 132.13 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.805 HG12 ' HB ' ' N' ' 40' ' ' VAL . 27.3 m -148.0 165.89 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.19 0.519 . . . . 10.0 112.05 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . 0.455 HD11 HG21 ' D' ' 31' ' ' ILE . 4.5 mm -138.64 113.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.568 -179.564 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.369 0.604 . . . . 10.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.457 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.5 OUTLIER -76.29 140.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.667 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.27 136.46 54.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.792 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.47 71.65 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.229 -0.896 . . . . 10.0 108.947 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . 0.74 HE22 HG11 ' N' ' 36' ' ' VAL . 23.1 tt0 -86.17 115.13 23.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . 0.559 ' HG2' ' HB3' ' M' ' 16' ' ' LYS . 17.4 mttt -129.31 113.56 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.263 0.554 . . . . 10.0 110.928 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.7 HD22 HD13 ' N' ' 34' ' ' LEU . 6.0 mp -113.03 129.26 56.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.726 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 3.3 t -127.18 119.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.905 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -119.6 124.81 47.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.724 0.297 . . . . 10.0 110.592 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -106.89 124.32 49.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.687 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 93.36 3.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.149 -0.685 . . . . 10.0 109.149 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -106.13 99.53 9.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.33 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.538 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 26.6 m-20 -97.01 105.95 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.233 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 85.6 t -82.35 -26.64 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.273 0.559 . . . . 10.0 109.925 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . 0.438 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.89 -86.56 1.88 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.201 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.6 m -162.4 128.88 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.538 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.8 p30 -92.12 158.8 15.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 10.0 111.172 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 1.036 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 32.5 mttm -116.8 -75.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.434 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -168.82 80.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 119.92 -1.133 . . . . 10.0 113.73 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . 0.441 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -85.21 132.51 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.708 HD12 HG13 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -97.33 119.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.57 0.7 . . . . 10.0 112.148 -179.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.566 HG12 HD12 ' O' ' 32' ' ' ILE . 74.1 mt -112.79 101.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.972 -1.013 . . . . 10.0 108.474 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . 0.682 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -108.25 117.5 5.1 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.977 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.7 HD13 HD22 ' N' ' 17' ' ' LEU . 49.4 mt -109.19 107.36 17.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.554 ' O ' ' HA ' ' O' ' 35' ' ' MET . 5.8 mtm -115.63 101.19 8.62 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.74 HG11 HE22 ' N' ' 15' ' ' GLN . 1.6 p -132.29 131.03 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.127 0.489 . . . . 10.0 111.669 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' M' ' 37' ' ' GLY . . . -147.03 136.99 6.4 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.648 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.1 154.38 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.783 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 20.1 m -135.24 132.77 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.967 0.413 . . . . 10.0 111.904 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.805 ' HB ' HG12 ' M' ' 40' ' ' VAL . 69.3 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.78 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 24.5 mt-10 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.082 0.468 . . . . 10.0 110.955 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -69.96 158.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 10.0 112.343 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -99.54 100.36 11.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.6 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -90.65 111.17 22.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.428 . . . . 10.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.0 105.07 11.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.776 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 1.7 tppp? -110.97 104.17 12.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.689 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.626 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -109.67 115.09 29.24 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.654 -0.869 . . . . 10.0 108.654 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 6.4 p -134.99 125.44 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 112.535 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.4 132.11 55.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.292 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.61 109.13 20.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.351 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.97 97.63 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.064 0.459 . . . . 10.0 109.836 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.05 127.7 56.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.911 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.3 t70 -111.94 145.57 39.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.647 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.556 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.1 t -126.78 8.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 10.0 110.439 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.34 -64.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.431 -0.89 . . . . 10.0 113.186 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.71 100.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.855 0.359 . . . . 10.0 110.838 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.576 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 38.0 t30 -78.86 122.69 26.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.61 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 1.036 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 28.3 tttm -88.37 -72.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.62 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 147.27 124.62 1.53 Allowed Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.297 -0.954 . . . . 10.0 112.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -105.17 168.93 8.74 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.338 -0.615 . . . . 10.0 109.338 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' P' ' 31' ' ' ILE . 2.6 pt -103.73 94.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.909 0.861 . . . . 10.0 110.85 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.566 HD12 HG12 ' N' ' 32' ' ' ILE . 61.4 mt -90.23 111.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . 0.856 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.53 111.86 1.95 Allowed Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.182 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.11 101.39 10.19 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.554 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.6 mtm -113.24 98.38 7.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.176 0.512 . . . . 10.0 110.166 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.4 m -125.77 159.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.03 -179.28 48.01 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.391 -0.909 . . . . 10.0 112.09 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -170.66 152.58 19.06 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.459 -0.877 . . . . 10.0 112.939 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' P' ' 39' ' ' VAL . 2.4 m -126.81 145.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.585 HG13 HG22 ' N' ' 40' ' ' VAL . 2.7 p -165.45 138.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 10.0 111.07 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 34.4 mm -97.96 105.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 110.019 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.519 179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 1.1 pm0 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.95 0.405 . . . . 10.0 110.712 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.87 141.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.442 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.74 119.93 40.39 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.572 -0.451 . . . . 10.0 110.374 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -111.54 97.69 6.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.851 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -115.68 119.1 34.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 14.5 ptmt -136.0 117.18 14.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.106 0.479 . . . . 10.0 111.627 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.4 mp -113.73 105.06 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.92 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.14 117.63 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.074 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -121.48 138.43 54.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.2 128.73 56.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.447 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.39 72.26 1.43 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.173 0.511 . . . . 10.0 109.962 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.09 130.15 53.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 6.1 t70 -133.14 125.97 30.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 10.0 110.262 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.56 -5.2 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.342 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.99 -64.44 0.37 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.507 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 20.2 m -157.05 113.64 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.576 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.1 m120 -73.95 77.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -55.18 -54.09 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.096 0.474 . . . . 10.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 91.96 132.78 5.83 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.73 -0.747 . . . . 10.0 112.783 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.74 -152.41 0.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.285 -0.265 . . . . 10.0 110.285 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.642 ' HA ' HG13 ' O' ' 31' ' ' ILE . 45.9 pt -104.37 125.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.898 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' O' ' 32' ' ' ILE . 25.7 mt -126.53 88.78 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.66 108.31 2.62 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.571 -0.824 . . . . 10.0 113.076 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' P' ' 34' ' ' LEU . 3.2 mm? -108.94 111.38 23.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.665 0.269 . . . . 10.0 110.441 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' O' ' 35' ' ' MET . 2.9 mpt? -115.77 103.57 10.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.94 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG12 ' O' ' 36' ' ' VAL . 40.5 t -126.88 114.82 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.692 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.468 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -131.45 156.6 21.92 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.081 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -138.14 154.08 22.66 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.409 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.487 ' HA ' HG22 ' O' ' 39' ' ' VAL . 18.5 m -130.63 131.24 64.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 10.0 111.034 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 29.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.703 -0.665 . . . . 10.0 110.379 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.599 ' HB3' HG22 ' B' ' 12' ' ' VAL . 2.1 mm-40 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.272 0.558 . . . . 10.0 110.054 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.06 156.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.7 -0.682 . . . . 10.0 112.64 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -87.53 109.89 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.61 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 51.9 m170 -98.27 93.27 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 28.6 tt0 -106.87 126.77 52.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.861 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -136.23 123.23 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.91 116.79 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG23 HG13 ' B' ' 18' ' ' VAL . 1.3 m -129.46 127.68 65.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.33 0.586 . . . . 10.0 112.169 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -112.14 100.54 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.33 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.84 97.68 11.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.582 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.57 131.78 47.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.083 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.973 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.4 mm-40 -88.65 153.56 21.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.998 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -128.8 94.48 3.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.608 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.801 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.4 t -128.33 -41.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.789 0.328 . . . . 10.0 111.068 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -96.62 -159.01 31.69 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.202 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -63.35 120.51 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.389 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.78 148.18 25.8 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.677 0.992 . . . . 10.0 113.677 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -160.78 166.82 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.169 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' O ' ' HA3' ' B' ' 29' ' ' GLY . . . -101.48 155.92 18.95 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.241 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.1 137.67 46.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD13 ' B' ' 31' ' ' ILE . 21.5 mm -92.41 93.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.083 0.468 . . . . 10.0 110.253 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.868 HG22 ' HB ' ' B' ' 32' ' ' ILE . 7.8 pt -120.53 145.98 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.726 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' HA3' HG11 ' I' ' 39' ' ' VAL . . . -131.97 116.35 1.84 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.545 -0.622 . . . . 10.0 111.545 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 HD23 ' B' ' 34' ' ' LEU . 52.0 mt -100.01 94.11 6.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 10.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -107.23 23.29 14.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.474 0.654 . . . . 10.0 109.675 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' B' ' 36' ' ' VAL . 16.5 m -69.79 139.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 10.0 111.653 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -172.39 161.27 32.87 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.424 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.67 126.24 1.96 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.798 HG13 HG23 ' B' ' 39' ' ' VAL . 3.7 p -122.71 123.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.056 0.455 . . . . 10.0 111.02 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.31 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.471 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 10.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.046 0.451 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.862 ' HB ' HG12 ' C' ' 12' ' ' VAL . 4.0 t -106.91 90.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -72.4 116.77 13.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.463 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.61 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 21.2 m170 -112.38 92.88 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.2 tt0 -113.78 109.03 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.983 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.59 122.74 38.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 10.0 111.839 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.06 105.53 13.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.973 -1.012 . . . . 10.0 109.107 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.527 HG13 HG23 ' A' ' 18' ' ' VAL . 10.5 t -111.37 120.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.6 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.14 121.53 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.07 119.66 40.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.374 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.67 100.07 5.18 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.973 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 30.5 mt-10 -98.09 92.84 5.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -83.17 83.87 7.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.033 0.444 . . . . 10.0 110.625 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.801 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.2 t -89.06 -25.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.027 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.26 -64.59 1.39 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.118 -1.039 . . . . 10.0 111.118 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.478 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 96.3 p -162.69 121.7 2.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.618 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 9.1 m120 -60.88 146.83 45.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.596 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.689 ' HG2' ' HA ' ' C' ' 28' ' ' LYS . 19.9 tptt -144.74 -36.25 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 29' ' ' GLY . . . 94.09 136.8 8.31 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.526 -0.845 . . . . 10.0 111.877 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 162.03 13.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.676 0.274 . . . . 10.0 111.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.47 HD13 ' HB ' ' A' ' 31' ' ' ILE . 22.7 mm -101.24 92.81 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.892 -1.151 . . . . 10.0 107.892 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.868 ' HB ' HG22 ' A' ' 32' ' ' ILE . 39.7 mt -116.31 126.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.368 0.604 . . . . 10.0 111.978 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.32 123.24 5.59 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.465 -0.788 . . . . 10.0 111.564 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.494 HD23 HD23 ' A' ' 34' ' ' LEU . 3.2 mm? -107.72 100.92 10.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -110.21 32.39 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 10.0 110.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HB ' HG12 ' A' ' 36' ' ' VAL . 24.0 t -72.79 101.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.787 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -133.68 143.73 15.49 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.315 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.43 146.49 17.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.027 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.798 HG23 HG13 ' A' ' 39' ' ' VAL . 11.5 p -134.03 134.52 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.969 0.414 . . . . 10.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.702 HG22 ' HB ' ' C' ' 40' ' ' VAL . 79.6 t -133.9 133.23 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.88 ' HB ' HG21 ' J' ' 31' ' ' ILE . 16.4 tt -67.83 129.34 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.957 0.408 . . . . 10.0 111.1 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.882 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.709 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.305 0.574 . . . . 10.0 111.258 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.862 HG12 ' HB ' ' B' ' 12' ' ' VAL . 2.8 m -107.54 110.77 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.125 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -77.58 99.55 5.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.527 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 24.2 m170 -91.66 107.52 19.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.325 0.584 . . . . 10.0 111.617 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.52 95.45 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.265 -0.879 . . . . 10.0 109.033 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.508 ' HD3' ' HD2' ' D' ' 16' ' ' LYS . 87.9 tttt -108.4 121.96 46.03 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.47 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.449 HD23 ' HB2' ' D' ' 17' ' ' LEU . 1.4 mt -120.25 114.25 21.62 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 7.2 p -133.13 126.96 54.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.598 0.713 . . . . 10.0 112.283 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.954 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.39 110.9 22.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.97 103.73 10.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -108.48 112.52 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.482 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.761 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.4 OUTLIER -104.18 130.16 51.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.572 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.5 m -134.31 18.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 10.0 109.563 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.38 -66.15 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.338 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -170.62 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.086 0.554 . . . . 10.0 109.719 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.554 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 60.6 t30 -58.18 144.31 41.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.121 0.486 . . . . 10.0 112.145 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.689 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 56.0 tttp -132.09 -13.63 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.92 148.8 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.495 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.405 ' HB2' ' HA2' ' D' ' 29' ' ' GLY . . . -129.26 166.24 19.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.774 HD12 HG22 ' K' ' 39' ' ' VAL . 1.5 pt -100.89 121.16 51.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.517 0.675 . . . . 10.0 110.694 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.4 mt -129.98 111.64 21.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.822 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.64 117.66 4.54 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.625 -0.797 . . . . 10.0 111.713 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.6 mp -104.78 87.07 2.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.954 0.407 . . . . 10.0 110.494 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' D' ' 35' ' ' MET . 0.8 OUTLIER -95.15 50.96 1.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.995 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 22.1 t -83.58 108.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.082 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -126.53 142.53 13.65 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.863 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.65 152.34 19.25 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.793 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.1 t -143.2 132.93 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.877 0.37 . . . . 10.0 111.262 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.702 ' HB ' HG22 ' B' ' 40' ' ' VAL . 68.9 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.81 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.709 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.2 p -131.86 164.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.423 ' H ' HG22 ' D' ' 12' ' ' VAL . 3.6 t60 -88.37 133.24 34.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 10.0 111.68 -178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.527 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 10.1 m80 -129.21 89.53 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.675 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -120.55 135.7 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.696 0.628 . . . . 10.0 112.696 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.508 ' HD2' ' HD3' ' C' ' 16' ' ' LYS . 37.1 ttpt -136.34 124.11 22.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.766 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.449 ' HB2' HD23 ' C' ' 17' ' ' LEU . 7.0 mp -110.64 114.25 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.238 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.792 ' HB ' HG12 ' E' ' 18' ' ' VAL . 18.1 t -119.56 116.54 51.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.478 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -115.13 124.77 52.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.677 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -107.36 121.28 44.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.58 99.09 5.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -104.92 93.38 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.79 115.86 24.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.482 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.493 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.1 t -110.16 -29.82 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.802 0.334 . . . . 10.0 111.491 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.95 -80.95 1.35 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.257 -0.973 . . . . 10.0 112.81 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -149.86 115.15 5.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.761 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -64.4 150.97 45.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.663 ' HA ' ' HD3' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -138.2 -40.32 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.685 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' C' ' 30' ' ' ALA . . . 111.63 114.31 3.41 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.29 -0.957 . . . . 10.0 114.203 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.582 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -98.71 172.39 7.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 1.039 HD11 HG23 ' E' ' 31' ' ' ILE . 4.7 pt -113.48 115.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.761 0.791 . . . . 10.0 111.065 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.42 HG12 HD11 ' E' ' 32' ' ' ILE . 27.2 mt -116.89 117.64 56.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.018 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.759 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -112.72 112.5 3.0 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.056 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.4 mm? -100.16 74.1 1.75 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 10.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.715 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 9.3 mtm -89.23 69.12 8.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 34.9 t -100.1 125.37 53.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.997 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.37 155.48 25.21 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.645 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' E' ' 38' ' ' GLY . . . -161.39 132.96 3.0 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.655 -0.783 . . . . 10.0 111.844 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 1.002 HG23 HD11 ' M' ' 31' ' ' ILE . 6.3 m -134.99 149.92 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.572 0.225 . . . . 10.0 111.372 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.611 HG23 ' HB ' ' E' ' 40' ' ' VAL . 12.1 p -149.89 142.35 17.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.195 0.521 . . . . 10.0 111.475 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.404 HD12 ' O ' ' M' ' 29' ' ' GLY . 6.7 tt -72.02 138.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.843 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.299 179.517 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' F' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.614 0.721 . . . . 10.0 110.539 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -90.29 157.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.897 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.92 97.48 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.86 111.52 22.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.061 0.458 . . . . 10.0 110.543 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -124.68 103.83 8.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.997 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -114.31 121.36 43.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.53 HD13 HD23 ' E' ' 34' ' ' LEU . 25.1 mt -119.87 113.61 20.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.4 OUTLIER -126.53 125.59 67.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -178.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -121.28 118.4 29.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.407 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -107.83 112.73 25.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.69 0.281 . . . . 10.0 110.883 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -125.78 110.73 14.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.34 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -118.66 133.49 55.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.895 0.378 . . . . 10.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.457 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.3 OUTLIER -114.25 146.9 39.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.605 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.426 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.4 t -137.69 6.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.637 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.52 -68.93 0.07 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.482 -0.866 . . . . 10.0 113.251 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -163.41 115.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.178 0.489 . . . . 10.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.52 159.58 34.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.54 0.686 . . . . 10.0 112.039 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -136.09 -116.76 0.17 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.335 178.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -153.87 93.39 0.14 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.15 -1.024 . . . . 10.0 113.015 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.538 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -73.99 149.08 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 1.039 HG23 HD11 ' D' ' 31' ' ' ILE . 9.8 mt -111.7 90.32 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.42 HD11 HG12 ' D' ' 32' ' ' ILE . 11.3 pt -112.61 114.73 47.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 10.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.41 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -117.7 109.58 1.87 Allowed Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.484 -0.865 . . . . 10.0 113.168 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.767 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 6.8 mp -93.82 82.91 4.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ptp -97.7 75.17 2.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.537 0.684 . . . . 10.0 110.646 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.667 HG12 ' HB ' ' F' ' 36' ' ' VAL . 27.2 m -106.78 136.52 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.991 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.895 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -150.78 140.55 7.99 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.155 -1.022 . . . . 10.0 113.033 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' D' ' 38' ' ' GLY . . . -127.01 141.19 12.44 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 1.077 HG21 ' HA3' ' M' ' 33' ' ' GLY . 39.4 t -131.5 123.68 53.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.949 0.404 . . . . 10.0 111.621 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' D' ' 40' ' ' VAL . 95.2 t . . . . . 0 C--O 1.237 0.417 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.911 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.067 0.461 . . . . 10.0 110.246 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.766 ' HB ' HG12 ' G' ' 12' ' ' VAL . 8.8 t -76.0 109.1 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' F' ' 15' ' ' GLN . 7.9 t60 -88.49 118.69 28.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.57 0.224 . . . . 10.0 110.73 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -111.14 86.57 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.148 0.499 . . . . 10.0 110.143 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' F' ' 13' ' ' HIS . 4.6 tt0 -103.61 114.72 29.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.385 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' HG2' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -136.86 120.79 17.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.367 0.603 . . . . 10.0 112.304 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.8 mp -115.82 119.12 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.628 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.788 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.5 t -121.39 121.39 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.391 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.4 127.35 53.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.06 122.23 46.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' E' ' 21' ' ' ALA . . . -131.83 95.39 3.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.659 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -108.37 101.86 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.377 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.538 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 72.6 m-20 -102.55 111.39 23.68 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.5 HG22 ' O ' ' G' ' 23' ' ' ASP . 17.0 m -102.51 -1.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.69 -87.94 1.62 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.174 -1.013 . . . . 10.0 112.861 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.42 101.52 5.19 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.85 147.01 51.38 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.2 0.524 . . . . 10.0 111.757 -178.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -131.95 -57.78 0.97 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.538 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 118.72 120.58 2.96 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.156 -1.021 . . . . 10.0 112.857 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -92.58 156.73 16.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.612 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 19.5 tt -105.08 106.11 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.843 0.83 . . . . 10.0 110.848 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.448 HG12 HD12 ' G' ' 32' ' ' ILE . 44.0 mt -115.2 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.595 -1.184 . . . . 10.0 110.714 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.24 112.11 4.03 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.8 mm? -91.69 72.74 5.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.664 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.5 mpt? -86.99 66.93 9.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.667 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.7 t -101.84 123.06 54.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.201 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -134.26 156.05 22.19 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.604 -0.808 . . . . 10.0 112.886 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.62 145.55 15.41 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.803 -0.519 . . . . 10.0 111.803 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.976 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.0 t -144.87 138.39 22.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 10.0 111.178 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.599 HG23 HG13 ' G' ' 40' ' ' VAL . 9.8 p -155.94 167.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.423 ' H ' HG22 ' F' ' 40' ' ' VAL . 3.6 pt -101.72 172.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.608 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.835 ' HA ' HG11 ' H' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 121.064 0.459 . . . . 10.0 110.289 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' F' ' 12' ' ' VAL . 5.8 m -117.81 126.54 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.17 104.8 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.817 -1.179 . . . . 10.0 107.817 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -93.09 119.91 32.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -122.94 89.29 3.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HG3' ' F' ' 16' ' ' LYS . 0.2 OUTLIER -106.01 112.43 25.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.562 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.583 ' HB2' ' HG ' ' F' ' 17' ' ' LEU . 56.0 mt -118.75 117.92 30.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.788 HG12 ' HB ' ' F' ' 18' ' ' VAL . 1.6 m -129.73 129.49 66.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.305 0.574 . . . . 10.0 112.044 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -125.13 119.49 28.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.844 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -101.8 116.39 32.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.74 112.95 12.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.036 0.446 . . . . 10.0 109.93 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.705 ' HG2' ' HB3' ' H' ' 22' ' ' GLU . 4.6 pt-20 -126.91 134.12 50.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.017 0.437 . . . . 10.0 111.648 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.585 ' HA ' ' OD1' ' H' ' 23' ' ' ASP . 0.1 OUTLIER -104.3 146.11 29.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.54 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.565 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 79.2 t -127.69 -20.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.178 0.514 . . . . 10.0 110.787 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -121.14 -65.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.58 -0.819 . . . . 10.0 113.134 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -153.1 110.68 3.55 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.565 -0.374 . . . . 10.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.639 ' HA ' ' CB ' ' H' ' 27' ' ' ASN . 23.9 t-20 -64.77 152.21 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.535 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' H' ' 28' ' ' LYS . 59.2 tttp -131.65 -50.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.465 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 113.18 122.45 3.92 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.162 -1.018 . . . . 10.0 112.722 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.775 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -93.36 166.91 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.768 0.318 . . . . 10.0 111.022 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' O' ' 39' ' ' VAL . 0.0 OUTLIER -106.39 90.22 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 179.156 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' F' ' 32' ' ' ILE . 13.3 mt -107.73 116.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.189 0.518 . . . . 10.0 111.396 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 102.63 1.09 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.708 -0.758 . . . . 10.0 111.591 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.788 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 5.6 mp -89.36 68.58 7.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.949 0.404 . . . . 10.0 110.758 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.474 ' HA ' ' HB2' ' F' ' 35' ' ' MET . 6.0 ptp -81.17 80.07 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.844 0.831 . . . . 10.0 110.208 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' H' ' 36' ' ' VAL . 42.0 t -105.23 111.64 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.413 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.89 118.63 3.51 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.636 -0.792 . . . . 10.0 111.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 121.09 3.97 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.701 -0.761 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.976 HG12 ' HB ' ' F' ' 39' ' ' VAL . 35.9 m -124.76 155.0 32.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.264 0.554 . . . . 10.0 111.68 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' F' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.565 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.835 HG11 ' HA ' ' G' ' 11' ' ' GLU . 2.9 m -64.19 136.9 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.877 0.37 . . . . 10.0 110.837 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.26 123.5 18.36 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.882 1.067 . . . . 10.0 113.882 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -121.13 98.95 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.141 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.36 143.68 33.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.939 0.399 . . . . 10.0 111.091 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -152.89 116.37 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.628 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.64 119.09 33.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.696 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.32 117.69 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -118.11 144.79 45.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 10.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -125.26 120.96 32.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.623 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.7 81.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.719 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.705 ' HB3' ' HG2' ' G' ' 22' ' ' GLU . 0.0 OUTLIER -109.84 151.26 27.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.197 -179.288 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.585 ' OD1' ' HA ' ' G' ' 23' ' ' ASP . 0.6 OUTLIER -135.64 155.86 49.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.103 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.565 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 21.7 t -120.47 -33.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.337 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -93.78 -75.91 1.31 Allowed Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.497 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -136.29 133.56 37.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.639 ' CB ' ' HA ' ' G' ' 27' ' ' ASN . 9.1 t-20 -74.58 147.94 41.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' G' ' 28' ' ' LYS . 21.5 mtpt -130.89 -172.3 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.132 0.492 . . . . 10.0 111.64 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.775 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -108.19 92.6 0.75 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.459 -0.792 . . . . 10.0 112.358 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.14 139.31 42.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.453 HG12 HD12 ' G' ' 31' ' ' ILE . 4.2 mt -98.05 107.61 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -125.44 113.04 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 10.0 111.469 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.01 99.33 1.51 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.286 -0.726 . . . . 10.0 111.286 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.788 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.6 mm? -84.08 69.98 10.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 10.0 111.493 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.456 ' HE3' ' HG3' ' G' ' 35' ' ' MET . 4.5 tpt -79.34 87.05 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.826 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' G' ' 36' ' ' VAL . 38.7 t -109.65 112.86 42.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.408 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.877 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -121.79 126.2 6.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 10.0 111.459 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.46 138.7 10.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.047 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 m -135.35 155.44 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.581 0.229 . . . . 10.0 110.478 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.591 HG13 ' HB ' ' G' ' 40' ' ' VAL . 2.9 p -167.54 140.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.962 -0.385 . . . . 10.0 109.962 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.55 133.34 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.152 -0.314 . . . . 10.0 110.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.479 -0.772 . . . . 10.0 110.039 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.551 ' HA ' HG22 ' J' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.954 0.407 . . . . 10.0 110.689 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.81 156.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -79.94 107.25 12.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.285 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' J' ' 14' ' ' HIS . 35.5 m170 -96.72 91.45 5.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.344 0.592 . . . . 10.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -106.86 123.45 48.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.392 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -130.41 127.82 40.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.29 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.437 ' HG ' HD13 ' J' ' 17' ' ' LEU . 3.3 mp -126.22 121.23 32.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -143.48 128.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.355 0.598 . . . . 10.0 112.229 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.71 107.16 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.361 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -89.98 86.82 6.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 116.41 29.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.948 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 47.4 mm-40 -81.43 157.13 25.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.2 0.524 . . . . 10.0 111.476 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.06 107.28 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.926 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 13.0 t -136.77 -33.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.775 -0.37 . . . . 10.0 111.477 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -108.98 -151.86 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.453 -0.879 . . . . 10.0 113.12 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.8 OUTLIER -64.66 121.61 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 146.62 54.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.762 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.2 mtpt -156.16 -179.06 7.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.199 -0.91 . . . . 10.0 109.09 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.09 141.26 16.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.159 -1.02 . . . . 10.0 113.08 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.43 130.77 42.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.762 0.315 . . . . 10.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' J' ' 31' ' ' ILE . 12.8 mt -89.77 97.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . 0.533 HG23 ' HB ' ' J' ' 32' ' ' ILE . 10.2 mt -117.35 136.05 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.432 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG11 ' A' ' 39' ' ' VAL . . . -115.99 115.02 3.25 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.461 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.49 88.63 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 10.0 111.845 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.47 12.53 37.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.627 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.482 HG12 ' HB ' ' J' ' 36' ' ' VAL . 12.5 m -63.39 145.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.427 -0.806 . . . . 10.0 111.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 173.66 -163.41 34.63 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.927 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.52 160.45 21.96 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.814 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.672 HG13 HG23 ' J' ' 39' ' ' VAL . 2.7 p -145.12 120.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.404 0.621 . . . . 10.0 111.153 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.798 HG13 ' HB ' ' J' ' 40' ' ' VAL . 10.7 t -127.01 157.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 pt -65.21 112.06 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 10.0 111.309 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.595 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.829 0.347 . . . . 10.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.859 ' HB ' HG12 ' K' ' 12' ' ' VAL . 18.8 t -93.27 93.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.05 117.96 16.45 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.881 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' I' ' 14' ' ' HIS . 2.7 m170 -110.71 98.29 7.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.894 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HG2' HD11 ' J' ' 17' ' ' LEU . 5.0 tt0 -113.72 106.35 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.482 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -115.02 109.06 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.79 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.437 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.2 mp -107.73 99.91 9.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.764 ' HB ' HG12 ' K' ' 18' ' ' VAL . 14.0 t -112.73 119.87 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.09 0.471 . . . . 10.0 110.838 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -110.51 126.02 53.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.998 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -140.94 99.83 3.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.948 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.2 pt-20 -102.47 90.9 4.02 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.694 0.627 . . . . 10.0 112.694 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.57 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 1.0 OUTLIER -76.19 84.12 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.046 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 31.9 t -86.56 -15.18 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.254 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -67.52 0.88 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.171 -1.014 . . . . 10.0 110.965 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.463 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 73.8 m -157.07 118.43 3.71 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' I' ' 26' ' ' SER . 9.6 m120 -62.92 146.5 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.237 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.762 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 2.1 ttmt -144.88 -28.72 0.47 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.619 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.78 125.78 3.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.354 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.55 156.19 17.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.88 HG21 ' HB ' ' B' ' 41' ' ' ILE . 2.4 tp -102.62 92.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.708 0.766 . . . . 10.0 109.533 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' I' ' 32' ' ' ILE . 11.5 mm -106.58 131.91 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.433 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' B' ' 39' ' ' VAL . . . -123.97 116.15 2.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.862 -0.895 . . . . 10.0 110.862 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 mt -111.48 106.68 15.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.866 0.333 . . . . 10.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.93 43.19 2.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.453 0.644 . . . . 10.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 46.5 t -79.27 110.97 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.345 -0.843 . . . . 10.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.68 142.95 11.13 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.684 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.64 148.57 19.69 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.97 -0.633 . . . . 10.0 111.72 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.764 HG13 HG23 ' K' ' 39' ' ' VAL . 4.5 p -131.76 130.91 62.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.965 0.412 . . . . 10.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.798 ' HB ' HG13 ' I' ' 40' ' ' VAL . 54.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.286 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.542 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 49.5 mm-40 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . 0.859 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -128.35 103.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -74.16 100.85 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 6.2 m170 -93.31 106.55 18.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.95 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.72 100.39 6.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.526 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 82.3 tttt -110.71 129.97 55.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.338 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' L' ' 17' ' ' LEU . 1.4 mt -128.89 110.24 11.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.764 HG12 ' HB ' ' J' ' 18' ' ' VAL . 2.7 m -125.71 129.44 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.309 0.576 . . . . 10.0 112.073 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.83 121.0 35.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.04 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -108.48 101.34 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' J' ' 21' ' ' ALA . . . -106.84 112.32 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.43 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 68.6 mt-10 -113.49 115.85 28.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.521 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.1 t70 -100.68 124.48 46.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.921 0.391 . . . . 10.0 110.185 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.93 5.24 5.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.004 0.431 . . . . 10.0 110.077 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.94 -67.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.569 -0.824 . . . . 10.0 113.242 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -163.26 94.02 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.5 t30 -64.2 145.76 55.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 10.0 111.548 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 44.5 tttm -130.31 -10.35 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 140.14 7.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.52 156.58 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.745 HG23 ' HB ' ' L' ' 31' ' ' ILE . 0.2 OUTLIER -100.37 113.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.493 0.663 . . . . 10.0 111.702 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.7 mt -124.8 123.14 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.547 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . 0.793 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -121.06 127.83 7.14 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.632 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.611 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 10.4 mp -108.08 93.9 4.78 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.526 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 1.8 mpt? -96.76 48.49 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.169 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' L' ' 36' ' ' VAL . 17.0 t -83.66 106.14 13.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.411 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -131.25 148.17 18.81 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.338 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.37 154.28 25.86 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.774 HG22 HD12 ' C' ' 31' ' ' ILE . 7.5 p -139.59 127.08 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.867 0.365 . . . . 10.0 110.516 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' L' ' 40' ' ' VAL . 46.4 t -127.27 143.24 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.819 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' C' ' 31' ' ' ILE . 16.3 tt -66.89 142.09 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.86 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.729 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . 0.988 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 49.9 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.243 0.068 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.614 HG22 ' H ' ' L' ' 13' ' ' HIS . 3.6 p -147.44 172.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 10.0 112.181 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . 0.614 ' H ' HG22 ' L' ' 12' ' ' VAL . 2.8 t60 -92.66 136.81 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.143 0.497 . . . . 10.0 112.112 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . 0.532 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 15.3 m80 -130.23 88.55 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . 0.559 HE22 HG11 ' L' ' 36' ' ' VAL . 39.8 tt0 -113.2 129.39 56.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 36.5 ttpt -137.82 121.4 17.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.44 ' HB2' HD23 ' K' ' 17' ' ' LEU . 6.8 mp -112.33 119.65 39.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.614 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.92 ' HB ' HG12 ' M' ' 18' ' ' VAL . 14.7 t -124.08 115.24 44.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.349 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -116.19 127.29 54.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 25.8 m-85 -109.71 129.17 55.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.192 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 90.84 2.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.85 91.16 4.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.386 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.586 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.3 m-20 -90.2 90.88 8.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.394 0.616 . . . . 10.0 110.89 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.523 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 59.4 t -80.35 -19.79 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.788 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.07 -139.15 9.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.181 -1.009 . . . . 10.0 112.146 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 120.78 26.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . 0.594 ' N ' HD22 ' L' ' 27' ' ' ASN . 0.6 OUTLIER -78.44 152.48 32.12 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 -179.237 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 0.9 OUTLIER -138.03 -32.64 0.73 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.932 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.65 114.98 3.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.263 -0.97 . . . . 10.0 114.583 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . 0.604 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -97.3 177.64 5.49 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.912 HD11 ' HB ' ' D' ' 39' ' ' VAL . 2.3 tt -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 10.0 112.279 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.44 122.14 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.432 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . 0.488 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -110.73 107.92 2.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.561 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -95.22 75.04 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.745 0.307 . . . . 10.0 110.792 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.997 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.2 mpp? -89.11 75.14 7.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.37 0.605 . . . . 10.0 110.387 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 20.1 t -106.62 130.31 58.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.331 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.49 165.79 27.43 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.086 -1.054 . . . . 10.0 112.858 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.16 137.25 4.56 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 1.008 HG13 HG12 ' M' ' 39' ' ' VAL . 0.4 OUTLIER -137.16 138.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.234 0.517 . . . . 10.0 112.246 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 70.7 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.438 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . 0.988 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 37.7 mm-40 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.615 0.721 . . . . 10.0 110.118 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . 0.417 HG12 ' H ' ' L' ' 12' ' ' VAL . 28.5 m -107.88 143.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.162 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.09 102.06 12.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.48 114.48 26.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.563 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -124.09 105.37 9.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.074 0.464 . . . . 10.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.48 120.58 41.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.88 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.422 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 22.8 mt -121.2 110.88 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.92 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.4 m -125.38 126.15 70.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -122.95 120.18 32.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.5 -0.773 . . . . 10.0 108.929 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 71.4 m-85 -109.98 108.35 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.62 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.72 119.22 37.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.33 119.2 31.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.69 133.9 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.523 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.4 t -127.41 16.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.97 -72.08 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.167 -1.016 . . . . 10.0 113.531 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -157.59 99.79 1.75 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.637 -0.331 . . . . 10.0 111.576 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . 0.422 HD22 ' CG ' ' L' ' 23' ' ' ASP . 28.0 t-20 -69.32 149.66 48.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.523 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.588 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 4.5 mttp -121.13 -91.09 0.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.604 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -169.05 71.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.668 -1.253 . . . . 10.0 113.788 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HB1' ' L' ' 30' ' ' ALA . . . -72.48 122.79 21.88 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 1.002 HD11 HG23 ' D' ' 39' ' ' VAL . 13.6 tt -97.47 119.75 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 121.61 0.719 . . . . 10.0 112.644 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.819 HG22 ' HB ' ' N' ' 32' ' ' ILE . 7.0 pt -120.23 130.54 74.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.966 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . 1.077 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -122.43 125.6 6.1 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.496 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.6 mp -108.58 82.76 1.66 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.125 0.488 . . . . 10.0 110.352 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.895 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 5.4 mpp? -91.3 91.82 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.912 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.485 HG13 HG13 ' L' ' 36' ' ' VAL . 1.5 p -128.58 125.94 64.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.87 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -149.94 173.57 29.62 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.813 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.82 147.1 9.17 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.16 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . 1.008 HG12 HG13 ' L' ' 39' ' ' VAL . 35.7 m -128.15 133.03 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.731 HG12 ' HB ' ' N' ' 40' ' ' VAL . 25.4 m -146.24 166.68 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 10.0 111.656 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . 0.477 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.6 mm -142.54 126.51 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.107 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' O' ' 12' ' ' VAL . 10.3 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.488 0.661 . . . . 10.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.409 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.0 OUTLIER -72.95 138.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.334 -0.848 . . . . 10.0 111.696 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 126.78 30.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.814 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -117.82 97.89 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.303 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -100.45 125.31 46.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.353 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -128.89 98.69 5.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.458 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.604 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.7 mp -105.5 114.55 28.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.725 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 5.4 t -119.35 117.39 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.245 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.99 121.2 37.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.555 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.84 130.57 54.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.97 96.05 3.33 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -107.07 99.08 8.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.315 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.679 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 11.2 m-20 -99.17 101.96 13.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.153 0.501 . . . . 10.0 110.797 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.41 -22.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.077 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.36 -83.7 1.73 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.372 -0.918 . . . . 10.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -161.03 124.35 3.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.558 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 30.0 p30 -95.9 155.28 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.103 0.477 . . . . 10.0 111.561 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.591 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 99.0 mttt -112.16 -88.92 0.52 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.537 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -153.1 79.68 0.19 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.968 -1.111 . . . . 10.0 113.275 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.23 118.45 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.847 -0.798 . . . . 10.0 108.847 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.847 HG12 HG23 ' M' ' 31' ' ' ILE . 0.2 OUTLIER -96.31 113.23 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.941 0.877 . . . . 10.0 112.41 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.819 ' HB ' HG22 ' M' ' 32' ' ' ILE . 74.6 mt -110.3 106.97 21.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . 0.89 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -104.01 118.62 6.04 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.558 -0.83 . . . . 10.0 112.911 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' M' ' 34' ' ' LEU . 75.7 mt -106.17 115.55 30.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.72 -0.845 . . . . 10.0 108.72 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' O' ' 35' ' ' MET . 7.2 mtm -127.18 96.26 4.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 2.2 p -130.47 128.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.256 0.55 . . . . 10.0 111.889 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.664 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -140.84 138.95 9.26 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.414 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.13 154.17 20.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.612 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 15.4 m -137.61 134.26 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.808 0.337 . . . . 10.0 111.675 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.731 ' HB ' HG12 ' M' ' 40' ' ' VAL . 54.2 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.762 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . 0.577 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 49.3 mt-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.2 0.524 . . . . 10.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' N' ' 11' ' ' GLU . 19.1 m -91.96 -173.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -114.69 104.92 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.014 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -91.22 107.87 19.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.71 99.83 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -111.04 113.32 25.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.437 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.604 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -113.59 112.75 24.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 5.1 p -133.54 123.44 46.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.448 0.642 . . . . 10.0 112.471 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -120.8 128.25 52.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.531 -0.758 . . . . 10.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -106.47 110.85 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.0 110.95 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.54 125.9 50.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.961 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 0.8 OUTLIER -110.35 145.42 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.021 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.498 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 3.1 t -133.59 7.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.202 0.525 . . . . 10.0 109.823 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.76 -80.23 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.123 -1.036 . . . . 10.0 113.26 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.73 99.26 3.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.751 0.276 . . . . 10.0 111.07 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.911 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 47.7 t30 -88.55 107.65 19.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 10.0 111.16 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.591 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 2.4 tttm -78.36 -33.73 48.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.31 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 125.34 5.61 Favored Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.57 -0.741 . . . . 10.0 113.526 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . 0.583 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -97.79 157.27 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.524 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -104.37 125.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.285 0.564 . . . . 10.0 110.029 178.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.82 124.21 71.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.099 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . 0.414 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -113.26 104.71 1.56 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.788 -0.72 . . . . 10.0 111.959 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.91 85.55 2.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.848 0.356 . . . . 10.0 110.226 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.543 ' O ' ' HA ' ' P' ' 35' ' ' MET . 0.0 OUTLIER -102.24 95.58 6.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.294 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' N' ' 36' ' ' VAL . 25.6 m -126.03 166.61 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.265 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.18 -171.07 43.35 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.696 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.86 158.66 21.76 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.081 -1.056 . . . . 10.0 113.173 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 31' ' ' ILE . 2.7 m -119.37 150.84 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.706 HG13 HG22 ' N' ' 40' ' ' VAL . 2.3 p -163.74 136.09 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.892 0.377 . . . . 10.0 111.251 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.07 101.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.416 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.054 0.454 . . . . 10.0 110.558 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.21 120.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.148 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -85.99 124.78 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.9 0.381 . . . . 10.0 110.837 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -114.04 96.67 5.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.518 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -110.74 114.03 27.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.887 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -130.35 115.91 17.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 10.0 111.179 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.7 mp -111.14 100.5 9.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.081 -0.508 . . . . 10.0 109.723 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 t -110.22 116.33 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.325 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -121.92 142.76 49.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.765 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.83 116.47 27.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.862 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.82 77.71 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.509 . . . . 10.0 110.495 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.0 133.21 53.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.142 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 2.3 t0 -137.3 143.11 41.95 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.762 -0.459 . . . . 10.0 109.762 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . 0.498 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 28.4 m -106.52 8.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.236 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.21 0.97 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.506 -0.854 . . . . 10.0 111.56 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -107.77 98.48 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.938 0.399 . . . . 10.0 110.191 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.911 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -75.7 72.09 2.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.524 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' O' ' 28' ' ' LYS . 13.8 mmmm -63.33 -52.14 63.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.03 0.443 . . . . 10.0 110.498 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . 0.583 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 82.49 147.21 6.48 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.542 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.62 -161.58 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' G' ' 40' ' ' VAL . 1.7 tt -114.44 120.2 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.054 0.454 . . . . 10.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.48 126.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.83 115.05 3.6 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.161 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.21 85.31 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.793 0.33 . . . . 10.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.877 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 0.0 OUTLIER -100.49 96.45 7.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.92 106.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 10.0 111.177 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.426 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -124.12 169.95 16.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.008 -0.615 . . . . 10.0 111.576 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.15 159.42 29.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' O' ' 39' ' ' VAL . 19.4 m -126.83 133.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 10.0 110.604 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . 0.45 ' HB ' ' HB ' ' O' ' 40' ' ' VAL . 90.4 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' HB3' HG22 ' B' ' 12' ' ' VAL . 3.2 mm-40 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.03 -0.359 . . . . 10.0 110.03 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 t -110.75 154.93 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 10.0 112.431 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.45 100.58 12.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.182 -0.917 . . . . 10.0 108.791 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -89.4 98.44 11.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 36.5 tt0 -118.22 117.53 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.479 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.72 111.35 14.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.039 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -111.08 108.96 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -124.46 134.36 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.451 0.643 . . . . 10.0 112.614 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.78 108.21 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.633 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.53 114.41 26.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.93 112.7 19.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.328 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.814 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 76.2 mm-40 -82.35 151.68 26.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.959 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.91 102.67 5.72 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.365 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.624 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 17.1 t -125.05 -27.15 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 10.0 110.59 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.14 -150.51 15.34 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.829 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -68.01 126.06 28.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.768 0.284 . . . . 10.0 110.266 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -66.19 157.1 32.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.396 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.679 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 2.0 mttm -165.54 -153.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.284 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.17 136.58 7.35 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.151 -1.023 . . . . 10.0 113.212 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -94.61 153.43 17.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 10.0 110.426 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 mm -100.24 86.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.677 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.725 HG22 ' HB ' ' B' ' 32' ' ' ILE . 9.6 pt -113.22 129.63 68.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 10.0 112.079 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.99 121.0 4.15 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.489 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD23 HD23 ' B' ' 34' ' ' LEU . 43.4 mt -102.5 110.46 22.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.633 0.254 . . . . 10.0 111.061 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -119.7 24.01 10.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.315 0.579 . . . . 10.0 109.65 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' B' ' 36' ' ' VAL . 9.7 t -69.93 126.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.262 -0.881 . . . . 10.0 110.548 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -163.38 147.85 13.86 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.276 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 139.74 9.64 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.658 HG13 HG23 ' B' ' 39' ' ' VAL . 5.4 p -136.73 126.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.529 . . . . 10.0 110.977 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.221 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 121.342 0.591 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -99.11 90.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.483 -0.932 . . . . 10.0 108.483 179.004 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.518 ' HA ' ' HB3' ' C' ' 13' ' ' HIS . 7.3 t60 -74.2 107.51 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.877 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.474 ' HB2' ' HD2' ' C' ' 14' ' ' HIS . 50.1 m-70 -104.68 95.12 5.68 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 5.0 tt0 -113.55 102.23 10.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.341 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 17.0 ptmt -114.97 121.23 42.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.277 0.56 . . . . 10.0 111.503 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.655 HD13 ' HG ' ' A' ' 17' ' ' LEU . 3.5 mp -114.48 108.25 16.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.077 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 18' ' ' VAL . 5.1 t -115.83 118.93 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.697 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.33 124.46 50.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.284 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -110.47 120.18 41.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 99.96 5.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 44.6 mt-10 -101.23 86.07 2.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.861 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.496 ' HA ' ' HB3' ' C' ' 23' ' ' ASP . 1.5 m-20 -78.98 89.29 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.949 0.404 . . . . 10.0 110.606 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.624 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 26.0 t -91.54 -15.93 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.32 -60.35 0.86 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.504 -0.855 . . . . 10.0 111.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -167.52 120.44 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.59 -0.305 . . . . 10.0 110.422 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.458 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 8.6 m120 -65.28 150.0 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.679 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 4.3 tppt? -141.24 -91.96 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.16 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 169.9 99.84 0.13 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.795 -1.193 . . . . 10.0 113.017 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.46 149.47 21.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.886 HD12 HG22 ' J' ' 39' ' ' VAL . 1.0 OUTLIER -99.26 121.01 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.62 0.724 . . . . 10.0 110.426 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.725 ' HB ' HG22 ' A' ' 32' ' ' ILE . 53.5 mt -130.73 122.36 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.047 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.04 122.06 5.43 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.927 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 34' ' ' LEU . 3.4 mm? -104.18 85.71 2.43 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.14 45.27 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.683 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.693 ' HB ' HG13 ' A' ' 36' ' ' VAL . 8.2 t -83.42 104.63 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.368 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -127.83 134.07 8.08 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.781 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.06 130.53 6.28 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.571 -0.612 . . . . 10.0 111.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.993 HG22 HD11 ' J' ' 31' ' ' ILE . 1.9 p -128.01 133.62 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.065 0.459 . . . . 10.0 111.083 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' C' ' 40' ' ' VAL . 93.6 t -134.69 135.48 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.137 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.887 ' HB ' HG21 ' J' ' 31' ' ' ILE . 13.6 tt -64.72 118.85 7.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.105 0.479 . . . . 10.0 111.357 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.939 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.01 0.434 . . . . 10.0 111.209 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -95.62 108.54 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' B' ' 13' ' ' HIS . 21.7 t60 -80.45 94.02 6.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.584 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 51.8 m170 -89.27 100.11 12.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.027 0.441 . . . . 10.0 112.008 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -116.07 104.75 11.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.418 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -113.24 121.46 44.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.719 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.0 109.07 15.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 9.1 p -131.95 128.77 60.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.629 0.728 . . . . 10.0 112.382 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.61 126.79 47.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.992 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.41 111.33 23.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.51 107.05 14.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -106.34 121.34 44.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.42 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' B' ' 23' ' ' ASP . 1.6 t0 -108.78 120.46 42.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.19 10.43 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.947 0.403 . . . . 10.0 110.076 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -135.56 -65.12 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.514 -0.85 . . . . 10.0 113.02 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 92.34 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.596 0.198 . . . . 10.0 110.645 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 63.1 t30 -62.56 145.58 54.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 79.4 tttt -125.48 -102.67 0.36 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.6 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.84 109.54 0.38 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.548 -1.311 . . . . 10.0 113.573 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.44 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.812 HD12 HG22 ' K' ' 39' ' ' VAL . 1.4 pt -108.62 119.67 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.501 0.667 . . . . 10.0 111.203 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.28 102.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.776 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.53 106.18 2.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.653 -0.785 . . . . 10.0 111.555 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.67 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 5.5 mp -96.06 80.39 3.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.082 0.468 . . . . 10.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.831 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.6 mpp? -91.13 63.12 4.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.867 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 41.3 t -95.74 126.58 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.497 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.973 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -143.67 164.16 27.46 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.172 -1.013 . . . . 10.0 112.95 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.72 147.36 17.79 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.493 -0.643 . . . . 10.0 111.493 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.951 HG21 ' HA3' ' K' ' 33' ' ' GLY . 2.2 t -136.63 127.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 10.0 110.773 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.627 ' HB ' HG22 ' B' ' 40' ' ' VAL . 53.6 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.047 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.674 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 35.1 mt-10 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 111.36 0.133 . . . . 10.0 111.36 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.0 p -141.01 164.0 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.471 -0.492 . . . . 10.0 111.944 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.421 ' H ' HG22 ' D' ' 12' ' ' VAL . 6.3 t60 -88.79 129.7 35.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.866 0.365 . . . . 10.0 111.727 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.584 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 34.3 m170 -129.47 87.86 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.79 130.06 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 10.0 111.793 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -130.65 121.94 26.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.26 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.66 110.59 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.472 -0.785 . . . . 10.0 109.71 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.732 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.8 t -120.17 114.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.372 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -116.53 127.41 54.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.9 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.08 122.07 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.64 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.29 97.32 5.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.0 94.99 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.31 94.4 8.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.698 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 41.3 t -87.79 -28.16 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.528 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -90.82 -103.17 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.346 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -121.84 110.46 15.91 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -66.32 150.69 48.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.87 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 34.2 tttm -139.9 -51.42 0.5 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.795 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.27 125.97 3.02 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.139 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.58 165.42 11.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 1.008 HD11 HG23 ' E' ' 31' ' ' ILE . 9.4 pt -106.28 113.22 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.657 0.741 . . . . 10.0 110.948 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.484 HG12 HD12 ' E' ' 32' ' ' ILE . 23.2 mt -116.63 112.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.158 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.777 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -107.46 112.56 3.73 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.757 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.67 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -101.73 80.13 2.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.916 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.6 mpp? -97.45 81.75 3.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 10.0 110.531 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.505 ' HB ' HG13 ' C' ' 36' ' ' VAL . 25.4 t -108.71 116.38 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.534 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 1.094 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -134.62 124.6 3.52 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.1 -1.048 . . . . 10.0 112.931 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.08 132.13 6.7 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.428 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 1.08 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.4 m -133.4 149.98 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.765 0.316 . . . . 10.0 111.198 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.686 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.4 p -147.25 143.67 19.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.817 0.341 . . . . 10.0 111.127 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.92 127.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.73 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.351 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.744 ' HA ' HG22 ' F' ' 12' ' ' VAL . 1.9 mp0 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.654 0.74 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.425 HG12 ' H ' ' D' ' 12' ' ' VAL . 26.8 m -90.16 158.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.961 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -96.2 101.4 13.04 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.293 -1.002 . . . . 10.0 108.293 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.51 106.19 18.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.177 0.513 . . . . 10.0 111.128 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -116.11 107.16 14.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.989 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -114.99 116.57 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.341 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.36 112.67 23.43 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.9 OUTLIER -127.03 124.69 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.361 0.601 . . . . 10.0 112.374 -179.029 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -123.18 123.54 41.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.568 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -109.18 107.34 17.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.572 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 112.35 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.31 119.46 22.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.868 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.5 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 3.1 t70 -115.89 132.52 56.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 10.0 110.197 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.698 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -119.86 32.78 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.374 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.2 -74.19 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.68 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -151.91 115.86 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.475 -0.426 . . . . 10.0 110.523 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -84.39 144.66 28.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.87 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 10.4 mttm -125.89 -54.39 1.52 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.873 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.422 ' O ' ' HA3' ' F' ' 29' ' ' GLY . . . 134.09 119.32 1.96 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.026 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -93.28 161.79 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.112 0.165 . . . . 10.0 110.653 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 1.008 HG23 HD11 ' D' ' 31' ' ' ILE . 7.3 mt -106.43 86.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.484 HD12 HG12 ' D' ' 32' ' ' ILE . 5.4 mt -100.15 111.02 28.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.275 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.427 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -116.83 99.67 0.86 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 10.0 113.266 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -92.91 90.98 7.2 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.51 75.14 1.0 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.408 0.623 . . . . 10.0 110.552 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.9 m -103.52 140.56 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.871 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.406 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -144.17 157.76 27.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.145 -1.026 . . . . 10.0 112.71 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.24 131.26 4.0 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.201 -0.76 . . . . 10.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 1.03 HG21 ' HA3' ' M' ' 33' ' ' GLY . 54.3 t -130.33 121.87 52.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 10.0 111.898 -179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.686 ' HB ' HG23 ' D' ' 40' ' ' VAL . 86.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.76 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.967 ' HB ' HG12 ' G' ' 12' ' ' VAL . 2.8 t -113.84 108.95 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 125.1 31.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.454 0.538 . . . . 10.0 112.454 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -126.1 94.55 4.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.146 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.414 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.8 tt0 -111.65 124.98 53.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.488 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -133.49 128.29 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.197 0.523 . . . . 10.0 111.863 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 8.0 mp -115.56 114.12 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.342 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' G' ' 18' ' ' VAL . 29.9 t -117.08 113.94 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.347 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.96 124.08 47.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.621 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.57 129.9 54.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.608 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.23 86.55 2.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -98.39 100.24 11.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.448 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.824 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 9.8 m-20 -100.44 101.93 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.02 0.438 . . . . 10.0 110.881 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' G' ' 24' ' ' VAL . 7.6 m -94.15 0.54 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 10.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.48 -63.76 0.38 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.829 -0.7 . . . . 10.0 111.731 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.7 p 176.64 118.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 1.047 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 25.4 p30 -82.11 140.92 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.0 OUTLIER -105.38 -30.28 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.13 -0.941 . . . . 10.0 108.809 178.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 114.61 114.09 3.02 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.891 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.493 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -97.87 150.7 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.644 ' HB ' HD12 ' E' ' 31' ' ' ILE 0.259 12.0 tt -101.46 109.04 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.769 0.795 . . . . 10.0 112.183 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.522 HG12 HD12 ' G' ' 32' ' ' ILE . 29.6 mt -113.15 116.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.757 -1.11 . . . . 10.0 109.974 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.21 111.98 3.47 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.595 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.4 mm? -96.19 74.44 2.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.4 mpt? -88.65 69.55 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.035 0.445 . . . . 10.0 110.106 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.644 ' HB ' HG12 ' E' ' 36' ' ' VAL . 42.4 t -100.77 119.65 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.007 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.421 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.33 148.87 18.44 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.811 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -140.42 144.76 15.28 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.43 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 1.028 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.1 t -144.44 141.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 122.155 0.182 . . . . 10.0 111.208 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.529 HG23 HG13 ' G' ' 40' ' ' VAL . 7.3 p -152.63 161.67 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.43 152.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 10.0 110.79 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.434 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.902 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--O 1.233 0.237 0 CA-C-O 121.312 0.577 . . . . 10.0 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.967 HG12 ' HB ' ' F' ' 12' ' ' VAL . 14.2 m -112.59 129.2 68.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.699 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 9.6 t60 -88.66 108.85 19.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.591 -1.263 . . . . 10.0 107.591 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -96.67 124.47 40.67 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.177 -0.465 . . . . 10.0 112.029 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.414 ' HG2' ' HG3' ' F' ' 15' ' ' GLN . 2.1 tp60 -128.57 97.96 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -111.72 119.07 37.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.835 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.516 HD13 HD23 ' G' ' 34' ' ' LEU . 47.9 mt -117.76 106.08 12.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.3 m -119.95 123.44 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.422 0.629 . . . . 10.0 112.339 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' H' ' 19' ' ' PHE . 31.5 m-85 -124.93 121.22 33.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.411 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.4 109.77 21.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 10.0 111.618 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.69 115.99 27.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.841 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -117.92 134.83 54.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.194 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.824 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.0 OUTLIER -108.45 143.11 37.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' F' ' 24' ' ' VAL . 77.4 t -129.58 -34.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.858 0.361 . . . . 10.0 110.713 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -109.97 -67.05 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.343 -0.932 . . . . 10.0 112.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 21.2 m -153.12 112.38 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.615 0.245 . . . . 10.0 110.658 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 1.047 ' HB3' ' HA ' ' F' ' 27' ' ' ASN . 18.6 t-20 -65.35 144.17 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.605 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -121.43 -54.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.661 0.267 . . . . 10.0 110.337 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.493 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 120.95 114.58 2.37 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.056 -1.068 . . . . 10.0 112.864 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.864 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -91.37 170.3 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.521 0.201 . . . . 10.0 111.183 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.599 HD13 HG12 ' O' ' 41' ' ' ILE . 0.4 OUTLIER -107.03 90.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 179.09 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.619 HG12 HD12 ' H' ' 32' ' ' ILE . 7.3 mt -101.81 104.22 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.291 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.63 105.33 2.01 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.668 -0.777 . . . . 10.0 111.961 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.715 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 6.5 mp -93.7 74.28 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.921 0.391 . . . . 10.0 110.743 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.448 ' O ' ' HE3' ' H' ' 35' ' ' MET . 2.2 ptp -81.5 76.36 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.123 0.963 . . . . 10.0 109.685 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.456 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 40.9 t -94.3 111.26 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.592 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.74 123.04 5.68 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.521 -0.847 . . . . 10.0 111.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -133.61 112.77 1.12 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.514 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 1.028 HG12 ' HB ' ' F' ' 39' ' ' VAL . 27.0 m -127.29 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.313 0.578 . . . . 10.0 111.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' P' ' 31' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.173 -0.921 . . . . 10.0 110.625 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' H' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.556 0.217 . . . . 10.0 110.451 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.53 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -66.21 132.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.986 179.086 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.476 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 13.4 t60 -70.84 133.19 46.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -116.16 101.4 8.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.112 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.45 129.68 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.721 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -139.05 115.52 10.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.77 117.25 30.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 t -116.71 123.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.466 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' G' ' 19' ' ' PHE . 23.5 m-85 -127.25 137.92 52.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.843 0.354 . . . . 10.0 110.495 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -114.57 132.72 56.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.754 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -141.64 87.12 2.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.43 136.36 46.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' G' ' 23' ' ' ASP . 5.1 t70 -100.54 151.64 21.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.815 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -126.02 -34.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 10.0 109.947 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -132.53 -51.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.006 -0.616 . . . . 10.0 113.028 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -143.07 110.79 5.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.504 -0.409 . . . . 10.0 110.421 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -65.9 151.12 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.86 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.672 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 35.4 tttp -136.53 -178.59 5.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.603 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.864 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -101.26 92.18 1.01 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.296 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.5 139.22 40.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.588 HD11 HG23 ' P' ' 39' ' ' VAL . 9.6 tt -84.21 112.96 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . 0.619 HD12 HG12 ' G' ' 32' ' ' ILE . 8.8 mt -126.56 107.01 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.878 0.371 . . . . 10.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.72 106.54 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 111.405 -0.678 . . . . 10.0 111.405 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.715 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.2 mm? -96.77 79.1 2.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.278 . . . . 10.0 111.152 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.448 ' HE3' ' O ' ' G' ' 35' ' ' MET . 7.2 tpt -84.95 91.81 8.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.22 0.533 . . . . 10.0 110.067 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 51.4 t -98.6 122.87 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.256 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -118.98 105.65 1.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.817 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.73 125.61 6.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 2.4 m -136.31 147.37 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.78 153.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 pt -94.09 156.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.656 0.265 . . . . 10.0 110.74 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.446 -0.788 . . . . 10.0 110.221 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' J' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.436 0.636 . . . . 10.0 110.236 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.93 162.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.929 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -90.54 95.27 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.901 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -87.2 86.69 7.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.181 0.515 . . . . 10.0 110.613 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -105.34 109.42 21.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.563 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -114.84 115.72 27.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.26 116.96 28.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.62 135.29 30.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -116.55 114.9 24.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.164 -0.926 . . . . 10.0 109.632 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.38 105.35 17.41 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 115.72 30.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.852 0.358 . . . . 10.0 111.131 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.931 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 72.1 mm-40 -91.35 137.56 32.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.039 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' J' ' 27' ' ' ASN . 0.0 OUTLIER -116.0 113.27 23.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.713 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 6.2 t -133.43 -16.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 10.0 110.504 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.79 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.271 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -57.79 129.13 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.749 0.275 . . . . 10.0 110.588 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.41 147.42 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.519 0.199 . . . . 10.0 111.395 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.706 ' HD3' ' HG2' ' J' ' 28' ' ' LYS . 26.8 mtpt -144.72 -105.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.528 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.41 125.23 0.84 Allowed Glycine 0 CA--C 1.517 0.166 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.2 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -89.96 137.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 111.841 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 1.6 mt -86.81 93.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -111.34 126.69 68.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.381 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.2 122.53 5.64 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -109.9 100.16 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.779 0.323 . . . . 10.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -110.26 16.06 21.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.158 0.504 . . . . 10.0 110.291 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.558 HG12 ' HB ' ' J' ' 36' ' ' VAL . 6.4 m -64.36 146.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.334 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 167.95 -169.24 41.24 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.627 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.94 -179.98 47.63 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.478 -0.868 . . . . 10.0 112.251 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.654 HG13 HG23 ' J' ' 39' ' ' VAL . 7.6 p -157.37 132.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.065 0.459 . . . . 10.0 110.544 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' J' ' 40' ' ' VAL . 14.0 t -130.78 158.31 43.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 pt -57.9 142.22 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.444 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 51.4 mt-10 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.965 0.412 . . . . 10.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.4 t -96.02 108.72 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -83.08 115.04 21.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.201 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.65 92.3 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -108.13 112.01 24.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.534 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -115.14 109.08 17.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.397 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.414 ' HG ' HD12 ' K' ' 17' ' ' LEU . 4.8 mp -108.91 96.15 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.742 ' HB ' HG12 ' K' ' 18' ' ' VAL . 13.2 t -113.3 117.24 54.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 10.0 111.062 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.95 126.63 55.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -111.33 122.04 46.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.87 101.15 5.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.931 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 1.2 pt-20 -106.59 87.36 2.51 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.71 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -77.13 88.72 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.065 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.577 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 16.9 t -86.95 -14.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.621 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.66 -65.79 0.77 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.306 -0.949 . . . . 10.0 111.889 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 60.4 m -157.78 118.26 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 7.5 m120 -68.71 146.45 52.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.999 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 15.7 mttp -139.95 -107.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.85 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.55 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -157.12 90.24 0.11 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.764 -1.208 . . . . 10.0 113.568 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.6 127.98 33.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.993 HD11 HG22 ' B' ' 39' ' ' VAL . 1.6 tp -92.84 104.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.629 0.728 . . . . 10.0 111.3 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.16 131.75 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.56 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.78 115.25 2.3 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.957 -0.64 . . . . 10.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' K' ' 34' ' ' LEU . 91.4 mt -108.67 99.86 9.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.691 0.282 . . . . 10.0 110.801 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.9 mmt -109.09 35.8 3.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.351 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 15.0 t -75.24 114.22 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.794 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.05 137.22 7.0 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.766 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.66 136.82 9.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 10.0 111.821 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.886 HG22 HD12 ' B' ' 31' ' ' ILE . 3.2 p -124.73 127.12 72.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.162 0.506 . . . . 10.0 110.777 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.605 ' HB ' HG13 ' I' ' 40' ' ' VAL . 69.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.675 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' L' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.855 0.359 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' J' ' 12' ' ' VAL . 2.7 m -106.39 109.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.305 0.574 . . . . 10.0 112.383 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -77.35 103.04 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . 0.933 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 31.4 m170 -94.57 107.76 19.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.054 0.454 . . . . 10.0 111.41 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -121.47 101.24 7.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.372 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -110.09 124.45 51.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.325 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.414 HD12 ' HG ' ' J' ' 17' ' ' LEU . 13.4 mt -125.19 105.52 9.2 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.742 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.4 m -124.96 128.13 72.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.386 0.612 . . . . 10.0 112.251 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 60.0 m-85 -125.01 121.75 35.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.619 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.62 112.02 24.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.233 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 110.22 18.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 40.0 mt-10 -109.54 117.51 34.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.797 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.71 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.3 t70 -103.39 117.56 34.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.56 -5.76 11.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 121.323 0.582 . . . . 10.0 109.747 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.98 -76.93 0.53 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.754 -0.736 . . . . 10.0 113.013 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -158.33 95.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.262 -0.273 . . . . 10.0 110.262 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . 0.621 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.9 t30 -63.5 147.65 50.77 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.144 0.497 . . . . 10.0 112.023 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.999 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 41.9 tttm -127.19 -64.63 0.99 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.738 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.86 110.03 0.38 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.525 -1.321 . . . . 10.0 113.791 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 153.97 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.763 ' HB ' HG23 ' J' ' 31' ' ' ILE . 9.4 tt -108.29 114.48 46.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.525 0.679 . . . . 10.0 112.7 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.473 HG12 HD12 ' L' ' 32' ' ' ILE . 39.0 mt -116.14 112.2 38.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 10.0 109.114 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -113.96 113.36 3.05 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.387 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.704 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.79 89.23 4.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.107 0.48 . . . . 10.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.973 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.1 mpp? -94.97 57.47 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.515 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 25.8 t -93.54 126.77 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.093 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . 0.831 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -149.55 172.69 29.5 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.161 -1.019 . . . . 10.0 112.42 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.54 151.05 19.94 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.819 -0.705 . . . . 10.0 111.741 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.812 HG22 HD12 ' C' ' 31' ' ' ILE . 7.6 p -135.35 126.9 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 110.385 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' L' ' 40' ' ' VAL . 17.5 t -124.37 134.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . 0.699 ' HA ' HG21 ' C' ' 31' ' ' ILE . 19.0 tt -64.88 139.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 10.0 110.973 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.746 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.71 ' H ' HG12 ' M' ' 12' ' ' VAL . 2.0 p -134.15 176.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . 0.705 ' H ' HG22 ' L' ' 12' ' ' VAL . 28.9 t60 -103.81 131.76 50.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.356 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . 0.933 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 18.6 m80 -124.37 97.58 5.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -114.08 120.27 40.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.107 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -127.94 118.85 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.555 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' K' ' 17' ' ' LEU . 8.4 mp -114.4 114.95 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.557 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.806 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.2 t -124.08 114.38 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.949 0.404 . . . . 10.0 110.369 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . 0.438 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 17.9 m-85 -118.21 126.24 51.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.994 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.2 126.43 52.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.49 94.08 3.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -98.79 90.32 4.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.582 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.673 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.8 OUTLIER -89.37 84.5 6.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.308 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.654 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 48.1 t -75.93 -31.31 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.197 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.14 -138.66 9.68 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.272 -0.966 . . . . 10.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 121.98 27.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . 0.673 ' ND2' ' HB3' ' L' ' 23' ' ' ASP . 0.6 OUTLIER -81.19 151.83 28.0 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.634 ' HA ' ' HD3' ' K' ' 28' ' ' LYS . 14.4 tttm -138.52 -52.48 0.59 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.722 0.296 . . . . 10.0 110.381 177.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.52 117.87 2.11 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.087 -1.054 . . . . 10.0 114.31 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.57 162.57 12.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 1.08 HD11 ' HB ' ' D' ' 39' ' ' VAL . 1.5 tt -112.26 121.65 65.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.478 0.656 . . . . 10.0 112.716 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.525 HG12 HD11 ' M' ' 32' ' ' ILE . 22.4 mt -113.99 116.14 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.747 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.86 108.4 2.73 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.118 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.704 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.3 mm? -98.75 85.15 3.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 1.094 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.1 mpp? -100.98 85.54 2.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.376 0.608 . . . . 10.0 110.649 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.582 ' HB ' HG13 ' K' ' 36' ' ' VAL . 12.3 t -115.41 127.82 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.022 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.916 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -148.59 128.2 2.75 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.036 -1.078 . . . . 10.0 113.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.09 140.0 11.48 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 10.0 111.6 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 1.03 HG13 HG12 ' M' ' 39' ' ' VAL . 0.9 OUTLIER -131.78 139.93 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 10.0 112.007 -179.422 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' K' ' 40' ' ' VAL . 55.0 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.304 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.394 0.616 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . 0.71 HG12 ' H ' ' L' ' 12' ' ' VAL . 22.0 m -119.88 150.65 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.889 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -84.78 104.86 15.11 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.82 107.86 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.658 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -115.74 103.14 10.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -109.35 117.26 33.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -116.31 109.84 17.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.217 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.806 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.6 m -124.86 124.23 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . 0.426 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 16.7 m-85 -122.19 125.49 46.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.589 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.99 114.52 27.9 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.82 116.21 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -126.07 116.4 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.351 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -114.84 125.82 54.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.654 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -114.46 15.85 8.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.427 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -137.97 -70.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.262 -0.97 . . . . 10.0 113.399 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.0 m -157.35 98.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.59 -0.359 . . . . 10.0 110.853 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -72.99 133.66 44.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.624 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 5.5 tttp -107.39 -76.95 0.6 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.347 . . . . 10.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.65 85.52 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.482 -1.342 . . . . 10.0 114.027 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -83.77 137.23 33.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.415 -0.957 . . . . 10.0 108.415 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.943 HD11 HG23 ' D' ' 39' ' ' VAL . 14.1 tt -101.9 114.48 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.677 0.751 . . . . 10.0 112.727 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.879 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.9 pt -110.86 121.89 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.906 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . 1.03 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -116.12 117.25 3.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.943 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.722 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.5 mp -104.1 91.05 3.78 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.063 0.458 . . . . 10.0 109.79 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.406 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 7.4 mtm -101.92 93.2 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.513 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 1.3 p -127.16 130.07 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.21 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -150.07 171.72 30.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.615 -0.802 . . . . 10.0 112.168 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.06 145.33 7.81 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.626 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . 1.03 HG12 HG13 ' L' ' 39' ' ' VAL . 18.3 m -131.6 138.63 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.538 0.209 . . . . 10.0 110.615 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 40' ' ' VAL . 30.5 m -146.78 174.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.458 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' M' ' 41' ' ' ILE . 1.0 OUTLIER -143.39 137.39 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.014 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.49 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.17 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . 0.6 ' HA ' ' O ' ' O' ' 11' ' ' GLU . 12.3 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.158 0.504 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.422 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.6 OUTLIER -71.1 139.96 19.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.408 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 132.21 44.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -122.31 95.79 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.379 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -98.22 128.95 44.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' N' ' 16' ' ' LYS . 12.7 ttmt -129.86 94.5 3.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.841 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.2 mp -100.34 112.56 24.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.562 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 23.2 t -119.77 113.87 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.441 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 56.8 m-85 -119.96 117.97 29.47 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.842 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.17 130.35 55.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.988 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.03 98.79 3.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.05 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -105.75 105.41 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.568 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.605 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 15.3 m-20 -98.45 103.61 15.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.425 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 62.5 t -82.99 -23.53 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.217 0.532 . . . . 10.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . 0.459 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -101.3 -69.71 0.87 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.432 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -178.2 130.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.605 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.1 p30 -95.43 149.35 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 10.0 111.003 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.624 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 18.6 tttp -106.25 -83.96 0.52 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.537 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -162.57 77.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.144 -1.027 . . . . 10.0 113.037 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.78 135.35 35.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.855 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -106.19 113.96 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.899 0.857 . . . . 10.0 112.362 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.879 ' HB ' HG22 ' M' ' 32' ' ' ILE . 69.9 mt -106.11 103.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.183 -1.044 . . . . 10.0 108.183 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . 0.712 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -99.95 117.0 5.74 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.384 -0.913 . . . . 10.0 112.801 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.722 HD12 ' HG ' ' M' ' 34' ' ' LEU . 81.6 mt -111.78 107.73 16.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' O' ' 35' ' ' MET . 4.8 mtm -122.88 98.59 5.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.8 p -128.85 127.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.438 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.489 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -144.63 130.11 3.81 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.705 -0.759 . . . . 10.0 111.902 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.38 153.79 18.24 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.079 -0.808 . . . . 10.0 111.079 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.75 HG12 HG22 ' M' ' 39' ' ' VAL . 10.6 m -137.23 127.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.108 0.454 . . . . 10.0 111.629 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' M' ' 40' ' ' VAL . 43.0 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.965 0.412 . . . . 10.0 111.003 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . 0.665 ' HG2' ' HG3' ' P' ' 11' ' ' GLU . 34.5 mt-10 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.159 0.504 . . . . 10.0 110.261 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -81.77 -179.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.63 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -120.91 104.12 9.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -92.35 110.63 22.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.879 0.371 . . . . 10.0 111.136 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.21 102.65 11.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.663 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' O' ' 16' ' ' LYS . 1.3 mtpp -102.45 98.65 8.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.001 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.508 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.4 mm? -103.53 110.88 23.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.2 p -136.32 124.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.577 0.703 . . . . 10.0 112.657 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.71 124.27 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.21 -0.905 . . . . 10.0 109.736 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.92 107.05 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.987 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.11 128.38 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.887 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.46 129.0 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 0.6 OUTLIER -116.6 144.43 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.068 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.53 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.6 t -135.42 11.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.26 0.552 . . . . 10.0 109.547 178.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.18 -74.62 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.179 -1.01 . . . . 10.0 113.278 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -146.76 101.26 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.95 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 41.1 t30 -88.15 96.91 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 5.0 tmtt? -67.06 -49.64 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.94 122.5 3.33 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.097 -1.049 . . . . 10.0 113.705 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . 0.469 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -96.85 166.29 11.7 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.519 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -109.99 117.52 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.488 0.661 . . . . 10.0 109.546 178.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.701 HD11 HG12 ' N' ' 32' ' ' ILE . 4.9 pt -119.57 113.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.469 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -106.09 109.31 3.13 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' P' ' 34' ' ' LEU . 6.5 mp -102.0 102.48 13.0 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.655 ' HE3' ' HG3' ' P' ' 35' ' ' MET . 0.0 OUTLIER -119.98 102.43 8.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.187 0.518 . . . . 10.0 110.82 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.735 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.5 m -126.27 146.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.408 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.67 179.65 40.43 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.015 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.39 165.82 33.67 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.995 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.84 HG22 ' HB ' ' P' ' 39' ' ' VAL . 4.1 m -121.69 149.26 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.75 ' HB ' HG22 ' N' ' 40' ' ' VAL . 13.8 t -136.12 126.56 41.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.787 0.327 . . . . 10.0 111.742 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . 0.599 HG12 HD13 ' G' ' 31' ' ' ILE . 1.4 mm -92.15 124.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.254 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . 0.665 ' HG3' ' HG2' ' O' ' 11' ' ' GLU . 9.4 pm0 . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.143 0.497 . . . . 10.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.79 109.49 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.05 122.06 20.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.397 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -118.74 106.6 12.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 10.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.76 107.89 18.86 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -111.59 117.09 32.0 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.72 96.22 5.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.454 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -110.93 118.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.419 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -121.06 145.68 47.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.1 123.12 41.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.958 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.35 70.78 1.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.246 0.546 . . . . 10.0 109.754 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -101.82 134.37 45.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.601 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' P' ' 27' ' ' ASN . 4.0 t0 -147.15 136.64 22.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.899 0.38 . . . . 10.0 110.427 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 m -103.67 -0.66 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.161 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.71 -115.09 2.62 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.249 -0.977 . . . . 10.0 111.959 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -101.62 97.12 7.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.95 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -66.34 101.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.82 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -78.48 -79.63 0.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.25 0.548 . . . . 10.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 104.35 120.42 4.76 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 115.472 -0.785 . . . . 10.0 112.778 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' G' ' 40' ' ' VAL . 0.5 OUTLIER -122.54 121.19 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.1 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.66 120.56 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.226 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.18 116.5 5.28 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.454 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' O' ' 34' ' ' LEU . 2.1 mm? -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.838 0.352 . . . . 10.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.655 ' HG3' ' HE3' ' O' ' 35' ' ' MET . 2.8 mpt? -99.23 103.24 15.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.5 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . 0.735 ' HB ' HG12 ' O' ' 36' ' ' VAL . 28.3 t -127.97 112.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.595 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.9 137.39 13.94 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.843 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.47 105.75 0.53 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.156 -0.545 . . . . 10.0 111.875 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.84 ' HB ' HG22 ' O' ' 39' ' ' VAL . 32.7 m -111.39 154.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.662 0.245 . . . . 10.0 111.662 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.601 179.502 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -85.92 96.81 9.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 33.3 m170 -91.02 90.14 7.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.325 0.583 . . . . 10.0 110.565 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -106.27 121.42 44.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.373 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.15 127.02 47.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.311 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.77 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -123.79 117.01 23.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.428 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.92 136.07 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.11 104.67 9.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.054 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.65 103.34 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.96 121.82 44.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.727 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 74.5 mm-40 -88.03 148.61 24.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.437 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -121.29 103.96 9.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 12.7 t -135.36 -24.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.092 0.472 . . . . 10.0 110.583 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -113.49 -155.65 11.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.847 -0.692 . . . . 10.0 112.227 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 5.0 p -73.53 120.7 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.658 -0.319 . . . . 10.0 110.69 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -62.26 153.65 30.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.557 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 12.9 tptm -150.27 -92.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.478 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 157.92 126.34 0.88 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.638 -0.792 . . . . 10.0 112.78 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.51 163.94 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 10.0 110.872 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 mm -112.34 89.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB ' ' B' ' 32' ' ' ILE . 34.6 pt -110.99 135.08 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.233 0.54 . . . . 10.0 112.421 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.12 119.07 3.62 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 34' ' ' LEU . 27.4 mt -104.79 100.87 10.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -114.87 23.47 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.563 HG13 ' HB ' ' B' ' 36' ' ' VAL . 4.6 t -68.24 114.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.51 155.93 26.76 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.834 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -150.47 147.07 16.79 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.646 HG13 HG23 ' B' ' 39' ' ' VAL . 3.6 p -151.69 124.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.969 0.414 . . . . 10.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.493 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.164 0.506 . . . . 10.0 110.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.745 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -94.55 97.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 179.374 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -72.93 110.88 7.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.707 0.289 . . . . 10.0 110.519 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 22.9 m170 -111.58 89.5 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 10.0 110.125 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -110.71 111.09 22.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.704 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -121.64 116.96 25.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.318 0.58 . . . . 10.0 111.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.77 HD13 ' HG ' ' A' ' 17' ' ' LEU . 2.1 mp -109.07 110.73 22.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.054 -0.975 . . . . 10.0 109.052 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 t -116.98 120.92 66.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.763 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -116.38 125.32 51.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.451 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.57 125.39 53.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.78 99.77 4.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.727 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 22.0 mt-10 -95.99 85.37 4.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.625 -0.261 . . . . 10.0 111.586 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -78.23 79.91 4.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.066 0.46 . . . . 10.0 110.075 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.689 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 21.9 t -87.01 -15.0 9.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.49 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.05 -69.46 0.86 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.291 -0.957 . . . . 10.0 112.178 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 46.9 m -157.09 114.64 3.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.481 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 4.4 m120 -61.75 152.76 30.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.318 0.58 . . . . 10.0 111.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 7.3 tttp -148.71 -113.82 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.426 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.48 ' H ' ' HB3' ' B' ' 28' ' ' LYS . . . -170.65 107.23 0.26 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.493 -1.337 . . . . 10.0 113.578 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 151.79 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.935 HD12 HG22 ' J' ' 39' ' ' VAL . 0.9 OUTLIER -97.07 125.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.464 0.65 . . . . 10.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 32' ' ' ILE . 55.4 mt -131.39 115.46 28.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.738 -0.665 . . . . 10.0 109.689 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -112.28 115.24 3.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.353 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.484 HD13 HD13 ' C' ' 34' ' ' LEU . 3.3 mm? -97.74 90.27 4.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.84 37.2 2.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 10.0 110.881 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 18.3 t -76.2 104.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.93 130.45 6.92 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.645 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -126.91 130.42 6.91 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.374 -0.691 . . . . 10.0 111.374 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 1.007 HG22 HD11 ' J' ' 31' ' ' ILE . 2.6 p -127.04 136.35 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.413 . . . . 10.0 111.275 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.648 HG22 ' HB ' ' C' ' 40' ' ' VAL . 72.6 t -135.11 139.8 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.985 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 1.005 HG12 HG21 ' J' ' 31' ' ' ILE . 11.0 mt -58.01 129.72 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.103 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.605 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.521 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.118 0.485 . . . . 10.0 111.194 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.745 HG12 ' HB ' ' B' ' 12' ' ' VAL . 5.7 m -104.38 125.61 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -86.23 89.56 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . 0.409 ' HD2' ' HB2' ' B' ' 14' ' ' HIS . 7.6 m170 -80.23 101.47 8.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.335 0.588 . . . . 10.0 112.216 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -115.43 93.54 4.33 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 88.8 tttt -104.83 119.65 39.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 10.0 111.815 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -120.41 112.46 19.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.41 HG13 HG13 ' D' ' 18' ' ' VAL . 8.4 p -134.23 130.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.503 0.668 . . . . 10.0 112.418 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -123.45 127.53 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.872 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.18 109.35 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.897 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.56 109.72 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -110.65 116.26 31.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.911 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.9 OUTLIER -102.21 120.62 40.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.287 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.28 7.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.46 0.648 . . . . 10.0 109.406 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -132.53 -68.88 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.566 -0.826 . . . . 10.0 113.09 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -163.14 94.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 58.1 t30 -63.29 142.31 58.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.906 0.384 . . . . 10.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -123.27 -82.23 0.65 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.586 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.9 106.73 0.19 Allowed Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.934 -1.127 . . . . 10.0 113.693 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -93.77 172.69 8.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -112.93 119.19 59.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.567 0.698 . . . . 10.0 111.531 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.65 100.1 8.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.354 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.67 103.22 2.2 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.251 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' D' ' 34' ' ' LEU . 5.5 mp -93.96 81.43 4.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.187 0.518 . . . . 10.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.66 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 5.0 mpp? -93.14 50.78 1.57 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.883 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.8 t -86.98 123.36 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.774 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.833 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -137.59 168.51 24.43 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.275 -0.964 . . . . 10.0 112.841 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.03 147.77 17.94 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.881 HG21 ' HA3' ' K' ' 33' ' ' GLY . 0.9 OUTLIER -139.14 129.79 33.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.74 0.305 . . . . 10.0 111.154 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' B' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.704 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.914 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 75.3 mt-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' C' ' 11' ' ' GLU . 4.1 p -169.84 154.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.469 0.176 . . . . 10.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.42 132.52 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.015 0.436 . . . . 10.0 111.645 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -131.14 84.75 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 18.8 pt20 -108.82 140.48 42.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 10.0 111.642 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 30.3 ttpt -140.6 122.23 15.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.039 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.25 112.49 23.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.507 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.5 t -119.75 115.68 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.307 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -115.88 125.44 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -106.61 125.47 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.616 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.3 99.94 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.888 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -104.2 96.85 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.602 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.78 92.03 8.21 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.462 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 92.1 t -86.85 -24.96 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 10.0 111.784 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.487 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -93.06 -81.47 1.49 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.339 -0.934 . . . . 10.0 113.427 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -151.15 113.64 4.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.7 OUTLIER -63.26 155.86 27.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.688 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 49.9 tttm -141.11 -107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.578 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . -165.46 99.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.178 -1.01 . . . . 10.0 112.86 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -100.5 153.28 19.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.825 ' HA ' HG12 ' C' ' 31' ' ' ILE 0.259 0.0 OUTLIER -97.94 127.46 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.404 0.621 . . . . 10.0 112.372 178.989 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mt -125.38 96.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 111.3 4.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.604 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.564 HD23 ' HG ' ' C' ' 34' ' ' LEU . 1.6 mm? -101.31 78.46 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.948 0.404 . . . . 10.0 109.959 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.847 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.8 mpp? -94.72 73.81 3.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.124 0.487 . . . . 10.0 110.771 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' C' ' 36' ' ' VAL . 31.7 t -102.6 122.59 55.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.642 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.968 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.11 125.89 2.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.941 -1.123 . . . . 10.0 112.911 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 133.58 7.48 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.66 -0.781 . . . . 10.0 111.648 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 1.049 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.9 m -130.23 144.6 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 10.0 112.096 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.861 HG22 ' HB ' ' E' ' 40' ' ' VAL . 11.6 t -140.94 142.27 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.116 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 tt -82.91 128.99 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.914 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.1 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.742 0.782 . . . . 10.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.499 HG12 HG12 ' D' ' 12' ' ' VAL . 18.8 m -86.53 143.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -90.91 92.78 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.47 102.68 15.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.829 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' F' ' 15' ' ' GLN . 3.9 tt0 -121.29 110.89 16.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.17 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -123.27 131.2 53.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.148 0.499 . . . . 10.0 111.305 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.627 HD22 HD23 ' E' ' 34' ' ' LEU . 3.0 mp -123.23 116.0 22.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.45 -0.796 . . . . 10.0 109.174 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -122.63 125.46 72.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.325 0.583 . . . . 10.0 111.928 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -120.65 122.14 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.668 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -106.59 104.06 13.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.096 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 108.52 19.51 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -115.52 129.47 56.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.811 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.52 142.51 50.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.286 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.8 t -138.18 19.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.19 -62.22 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.286 -0.959 . . . . 10.0 113.6 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.95 121.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.798 0.299 . . . . 10.0 110.842 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.64 164.23 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.784 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' F' ' 28' ' ' LYS . 15.0 ttmm -142.82 -102.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.978 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -162.43 100.02 0.18 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.015 -1.088 . . . . 10.0 113.624 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -83.81 154.4 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -114.87 86.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.092 0.472 . . . . 10.0 109.838 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.68 120.66 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.133 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.609 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -125.35 105.43 0.83 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.303 -0.951 . . . . 10.0 113.428 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.627 HD23 HD22 ' E' ' 17' ' ' LEU . 7.9 mp -93.79 72.19 4.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ptp -90.99 69.22 6.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 10.0 110.828 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.7 m -102.74 138.85 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.641 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.939 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -146.96 147.52 18.42 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.088 -1.053 . . . . 10.0 112.9 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.56 138.26 9.81 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 1.045 HG21 ' HA3' ' M' ' 33' ' ' GLY . 43.9 t -132.55 122.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.937 0.398 . . . . 10.0 112.017 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.861 ' HB ' HG22 ' D' ' 40' ' ' VAL . 76.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.895 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.631 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.188 0.518 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.839 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.7 t -106.92 100.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.87 125.93 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.965 0.357 . . . . 10.0 111.965 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -127.0 81.17 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.216 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 9.8 tt0 -103.68 118.24 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.372 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -134.19 130.57 37.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.294 0.569 . . . . 10.0 111.804 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.13 117.0 28.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.579 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.0 t -117.62 118.24 57.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.127 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.6 129.34 53.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.048 0.451 . . . . 10.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -109.16 126.05 52.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.96 85.36 2.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -104.65 102.07 11.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.866 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.591 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 31.2 m-20 -112.85 115.03 27.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.318 0.58 . . . . 10.0 110.137 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 29.0 m -106.34 31.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.661 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.99 -89.32 0.15 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.074 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -134.51 92.97 2.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.3 m120 -63.45 134.64 56.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.913 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.583 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 2.8 tmtt? -116.97 -53.6 2.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 117.5 120.69 3.1 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.766 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -89.71 159.86 16.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.639 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 17.8 tt -103.98 112.79 38.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.642 0.734 . . . . 10.0 110.543 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.634 HG12 HD12 ' G' ' 32' ' ' ILE . 15.4 mt -114.68 112.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.109 -0.951 . . . . 10.0 110.521 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 103.43 2.21 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.7 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.0 mm? -90.62 76.85 6.47 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.715 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 0.9 OUTLIER -89.62 68.09 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 10.0 109.895 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG12 ' E' ' 36' ' ' VAL . 26.3 t -98.94 118.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.506 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.8 149.29 18.73 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.369 -0.919 . . . . 10.0 113.187 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -139.78 143.41 13.74 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.4 -0.68 . . . . 10.0 111.4 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.861 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.4 t -144.97 143.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.286 . . . . 10.0 111.681 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.419 ' HB ' HG13 ' G' ' 40' ' ' VAL . 8.5 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 10.0 110.905 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.839 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.3 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.553 0.692 . . . . 10.0 112.806 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -96.38 105.01 17.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -87.11 114.63 23.89 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.061 0.458 . . . . 10.0 111.745 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.532 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 1.4 tp60 -126.43 86.07 2.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' G' ' 16' ' ' LYS . 1.7 tmmm? -109.71 114.17 27.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.919 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 32.3 mt -116.05 115.71 26.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.6 m -128.71 125.73 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.476 0.655 . . . . 10.0 112.489 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -126.35 126.98 44.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.416 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.43 120.21 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.394 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.76 111.85 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.17 123.61 42.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.45 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.48 126.66 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 10.0 110.286 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.0 t -114.81 18.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.249 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.82 -72.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.345 -0.931 . . . . 10.0 113.412 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.46 105.78 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.712 -0.287 . . . . 10.0 110.717 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.79 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 23.3 t-20 -63.49 146.64 53.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.524 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -126.36 -42.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.858 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 105.19 114.47 3.96 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.103 -1.046 . . . . 10.0 112.571 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.744 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -87.62 168.41 13.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.341 . . . . 10.0 111.296 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.61 88.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.301 -0.999 . . . . 10.0 108.301 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.634 HD12 HG12 ' F' ' 32' ' ' ILE . 8.3 mt -99.29 104.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 10.0 111.075 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.433 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -111.25 115.98 4.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.57 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.11 76.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.881 0.372 . . . . 10.0 110.735 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.588 ' HG2' ' HA ' ' H' ' 35' ' ' MET . 0.1 OUTLIER -83.38 80.04 9.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.917 0.865 . . . . 10.0 109.834 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.483 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 39.8 t -97.13 108.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.92 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.37 127.58 7.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.268 -0.968 . . . . 10.0 111.657 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . 0.506 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -141.81 116.2 1.06 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.126 -1.035 . . . . 10.0 112.847 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 1.02 ' HB ' HD11 ' O' ' 31' ' ' ILE . 33.9 m -122.89 152.76 27.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 10.0 111.625 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.419 HG13 ' HB ' ' F' ' 40' ' ' VAL . 2.6 p . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' H' ' 12' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' G' ' 12' ' ' VAL . 2.9 m -66.46 137.41 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.689 0.281 . . . . 10.0 110.998 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -57.32 127.97 34.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.604 0.964 . . . . 10.0 113.604 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -125.75 95.01 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.994 -1.003 . . . . 10.0 109.324 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -105.2 125.15 50.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.725 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -134.68 119.16 17.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.84 109.82 15.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.892 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.19 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.717 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -132.56 133.92 44.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 10.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.12 130.21 56.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.108 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 90.74 2.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -109.7 142.19 41.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.443 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.39 130.35 20.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.719 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.59 13.78 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.984 0.421 . . . . 10.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.62 -61.94 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.163 -1.018 . . . . 10.0 112.672 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -155.14 102.27 2.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.79 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 28.3 t-20 -51.16 140.05 17.13 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.575 0.547 . . . . 10.0 110.024 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 22.5 tttp -122.66 167.33 13.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.912 0.387 . . . . 10.0 111.029 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.744 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -87.6 75.88 2.07 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 111.285 -0.726 . . . . 10.0 111.285 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 138.25 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 10.0 110.718 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -91.22 114.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.187 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.45 114.39 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.581 ' HA3' HG11 ' P' ' 39' ' ' VAL . . . -122.36 112.47 2.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.908 -0.663 . . . . 10.0 111.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -104.18 93.18 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.693 0.282 . . . . 10.0 111.466 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.588 ' HA ' ' HG2' ' G' ' 35' ' ' MET . 8.6 tpt -88.98 90.4 8.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.126 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 61.5 t -94.15 124.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.274 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -125.35 107.06 0.94 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.198 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.04 179.562 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' J' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.044 0.45 . . . . 10.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -118.32 149.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -80.56 92.2 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.608 ' HB2' ' HD2' ' J' ' 14' ' ' HIS . 34.5 m80 -88.96 91.08 8.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.067 0.46 . . . . 10.0 110.385 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -101.85 115.65 30.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.248 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -113.95 122.06 45.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.545 HD21 HD22 ' I' ' 34' ' ' LEU . 39.6 tp -129.14 123.64 32.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.61 135.64 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 10.0 112.381 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -113.47 110.38 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.423 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -92.89 101.05 13.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.678 0.275 . . . . 10.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.65 115.97 31.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.853 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 12.6 mm-40 -90.22 136.85 32.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.212 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.598 ' HA ' HD21 ' J' ' 27' ' ' ASN . 3.8 t0 -112.36 109.33 18.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.078 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 12.6 t -131.49 -16.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.141 0.496 . . . . 10.0 110.327 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -116.5 -138.99 6.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.034 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -91.44 114.81 27.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.91 0.355 . . . . 10.0 110.391 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -62.36 153.53 30.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.791 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 24.0 mtpp -148.68 -85.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.798 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 154.58 124.82 0.94 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.472 -0.87 . . . . 10.0 112.463 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -81.68 166.9 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 10.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.605 HD13 ' H ' ' B' ' 42' ' ' ALA . 1.2 mt -117.51 92.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.585 HG22 ' HB ' ' J' ' 32' ' ' ILE . 28.1 pt -110.27 130.32 63.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.34 106.32 1.67 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.706 -0.958 . . . . 10.0 110.706 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.545 HD22 HD21 ' I' ' 17' ' ' LEU . 22.0 mt -95.78 99.49 11.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 10.0 111.627 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.05 18.46 17.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.173 0.511 . . . . 10.0 110.236 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.728 HG12 ' HB ' ' J' ' 36' ' ' VAL . 3.0 m -65.62 128.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.551 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -168.78 -161.67 19.41 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.667 -0.778 . . . . 10.0 112.063 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.35 164.36 23.91 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.384 -0.686 . . . . 10.0 111.384 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.697 HG13 HG23 ' J' ' 39' ' ' VAL . 7.3 p -149.56 133.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 10.0 111.154 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' J' ' 40' ' ' VAL . 2.8 t -130.85 166.09 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 pt -61.62 120.57 7.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 10.0 110.708 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.059 -179.592 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.563 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 43.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.855 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.5 t -105.61 94.76 3.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -69.59 113.65 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.917 0.389 . . . . 10.0 111.325 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.608 ' HD2' ' HB2' ' I' ' 14' ' ' HIS . 35.7 m170 -115.63 91.97 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.305 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -106.45 119.5 39.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.375 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -118.42 107.42 13.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -107.21 98.98 8.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.801 ' HB ' HG12 ' K' ' 18' ' ' VAL . 15.7 t -113.17 117.88 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.611 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 70.0 m-85 -112.06 126.2 54.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.4 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -110.61 128.52 55.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.81 99.66 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.853 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 pt-20 -104.26 92.38 4.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.048 0.452 . . . . 10.0 111.825 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.599 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.9 OUTLIER -78.79 81.18 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.922 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.643 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 21.2 t -80.59 -16.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.863 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.05 -73.46 1.09 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.663 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 71.6 m -154.0 113.86 3.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.839 0.352 . . . . 10.0 110.407 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.598 HD21 ' HA ' ' I' ' 23' ' ' ASP . 4.9 m120 -60.22 156.04 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.275 -0.875 . . . . 10.0 111.468 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.875 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.4 OUTLIER -150.77 -102.93 0.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.012 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -174.02 96.85 0.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 119.58 -1.295 . . . . 10.0 113.824 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -79.39 147.79 32.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 1.007 HD11 HG22 ' B' ' 39' ' ' VAL . 1.5 tp -104.44 106.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.631 0.729 . . . . 10.0 111.407 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.585 ' HB ' HG22 ' I' ' 32' ' ' ILE . 13.7 mm -112.89 126.98 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.369 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.04 117.72 3.57 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.762 -0.732 . . . . 10.0 111.537 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.44 HD23 HD13 ' K' ' 34' ' ' LEU . 90.3 mt -109.52 100.64 9.67 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.693 -0.298 . . . . 10.0 110.811 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.546 ' HE1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 mmt -108.53 29.23 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 10.0 109.794 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' I' ' 36' ' ' VAL . 16.4 t -70.66 109.46 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.034 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -146.71 136.17 6.08 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.751 -0.737 . . . . 10.0 112.221 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.56 137.34 9.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.512 -0.851 . . . . 10.0 111.871 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.935 HG22 HD12 ' B' ' 31' ' ' ILE . 2.9 p -121.86 128.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 10.0 110.779 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.605 ' HB ' HG13 ' I' ' 40' ' ' VAL . 73.2 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 7.3 mm-40 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.121 0.486 . . . . 10.0 110.631 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 12' ' ' VAL . . . . . 0.855 HG12 ' HB ' ' J' ' 12' ' ' VAL . 5.0 m -94.42 123.96 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -82.96 92.65 7.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.401 -1.333 . . . . 10.0 107.401 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -83.81 105.17 14.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.316 0.579 . . . . 10.0 112.202 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -120.61 98.29 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.086 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -107.42 124.65 50.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.558 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' L' ' 17' ' ' LEU . 11.9 mt -125.38 106.46 9.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.801 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.2 m -124.74 130.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.32 0.581 . . . . 10.0 112.209 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 65.7 m-85 -124.75 124.98 43.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.106 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.21 109.25 18.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.772 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.51 112.86 24.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.85 115.39 27.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.611 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 5.1 t70 -100.86 123.66 45.39 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.799 0.333 . . . . 10.0 111.003 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.75 1.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.066 0.46 . . . . 10.0 110.052 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.39 -69.36 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.341 -0.933 . . . . 10.0 113.603 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -160.73 99.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.682 0.241 . . . . 10.0 110.645 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 27' ' ' ASN . . . . . 0.679 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 54.0 t30 -70.19 148.53 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.923 0.392 . . . . 10.0 111.56 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.875 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 6.5 ttpp -126.05 -89.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.297 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . 179.89 101.53 0.15 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.917 -1.135 . . . . 10.0 113.349 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.497 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -93.8 150.09 20.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.728 ' HA ' HG23 ' J' ' 31' ' ' ILE . 4.2 tt -101.75 115.3 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.612 0.968 . . . . 10.0 113.612 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.523 HG12 HD12 ' L' ' 32' ' ' ILE . 59.4 mt -116.89 108.78 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.082 -0.963 . . . . 10.0 108.778 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 33' ' ' GLY . . . . . 0.881 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -112.73 114.91 3.58 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.811 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.658 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.75 87.5 3.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.109 0.481 . . . . 10.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.833 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.3 mpp? -93.63 55.47 2.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.615 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 33.5 t -92.61 125.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.183 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 37' ' ' GLY . . . . . 0.66 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -148.01 172.39 28.32 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.638 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.39 155.98 27.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.963 -0.637 . . . . 10.0 111.908 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' J' ' 39' ' ' VAL . 11.4 p -144.64 130.77 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.603 HG22 ' HB ' ' L' ' 40' ' ' VAL . 81.9 t -135.64 143.89 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.469 ' HA ' ' CG2' ' C' ' 31' ' ' ILE . 5.5 tp -67.86 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.924 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.596 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 11' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 45.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.305 0.098 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' K' ' 11' ' ' GLU . 1.6 p -164.39 166.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.687 -0.405 . . . . 10.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 13' ' ' HIS . . . . . 0.461 ' H ' HG22 ' L' ' 12' ' ' VAL . 79.6 t60 -97.42 140.85 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.884 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -131.34 99.14 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.442 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 15' ' ' GLN . . . . . 0.403 ' HB2' ' NE2' ' L' ' 13' ' ' HIS . 38.2 tt0 -110.4 128.63 55.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.016 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -132.55 115.94 16.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.257 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.459 ' HB2' HD23 ' K' ' 17' ' ' LEU . 7.4 mp -117.36 109.02 16.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.44 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.848 ' HB ' HG12 ' M' ' 18' ' ' VAL . 11.1 t -120.16 114.84 45.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.921 0.391 . . . . 10.0 110.314 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 25.8 m-85 -116.82 122.94 45.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -106.01 125.15 50.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.727 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 94.02 3.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.533 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.98 103.3 15.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.021 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.479 ' CG ' HD22 ' M' ' 27' ' ' ASN . 0.9 OUTLIER -100.53 89.96 4.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.114 0.483 . . . . 10.0 110.961 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 60.4 t -76.28 -28.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.055 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.59 -123.13 4.78 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.32 -0.943 . . . . 10.0 112.628 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -98.73 127.46 44.67 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.679 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 1.8 m-20 -82.41 157.84 23.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' K' ' 28' ' ' LYS . 41.8 tttt -140.03 -103.66 0.16 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 10.0 111.799 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . -165.58 88.8 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.934 -1.126 . . . . 10.0 113.703 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.39 150.88 23.52 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 1.049 HD11 ' HB ' ' D' ' 39' ' ' VAL . 0.8 OUTLIER -112.43 121.45 64.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.547 HG12 HD11 ' M' ' 32' ' ' ILE . 38.2 mt -113.76 110.76 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.719 -1.128 . . . . 10.0 109.371 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -104.81 109.32 3.28 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.347 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.0 mm? -99.29 83.55 2.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.968 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.0 mpp? -98.39 80.76 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.184 0.516 . . . . 10.0 110.582 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 14.5 t -111.43 125.41 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.456 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.847 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.55 119.77 1.32 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.21 -0.995 . . . . 10.0 113.215 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.26 145.23 16.5 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.227 -0.749 . . . . 10.0 111.227 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' M' ' 39' ' ' VAL . 1.4 m -131.88 161.16 41.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.96 0.409 . . . . 10.0 111.795 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.603 ' HB ' HG22 ' K' ' 40' ' ' VAL . 48.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.901 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 11' ' ' GLU . . . . . 0.753 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 6.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.724 0.773 . . . . 10.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 19.4 m -119.33 139.47 46.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.291 -0.868 . . . . 10.0 111.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 13' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' N' ' 13' ' ' HIS . 6.0 t60 -80.99 102.3 10.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.999 -1.112 . . . . 10.0 107.999 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 100.94 12.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.312 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 15' ' ' GLN . . . . . 0.597 HE22 HG21 ' M' ' 36' ' ' VAL . 23.4 tt0 -118.58 109.38 16.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.372 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 10.0 111.569 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.825 HD22 HD23 ' M' ' 34' ' ' LEU . 4.2 mp -121.19 117.93 28.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.293 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.848 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.5 m -124.32 126.39 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.291 0.567 . . . . 10.0 111.977 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.521 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 22.0 m-85 -120.05 123.13 42.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.313 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -109.77 99.98 9.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.303 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.37 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -122.94 111.77 17.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.506 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.86 131.92 51.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.614 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.5 t -119.95 11.08 6.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.576 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.35 -69.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.177 -1.011 . . . . 10.0 113.156 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -157.15 109.84 2.49 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.64 -0.33 . . . . 10.0 110.799 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 27' ' ' ASN . . . . . 0.479 HD22 ' CG ' ' L' ' 23' ' ' ASP . 12.0 t-20 -73.06 166.71 22.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 0.0 OUTLIER -145.96 -102.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' M' ' 28' ' ' LYS . . . -150.12 78.09 0.22 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.518 -1.325 . . . . 10.0 114.31 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.37 133.65 35.23 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.874 HG23 HG12 ' N' ' 31' ' ' ILE . 8.4 tt -112.58 117.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.923 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.0 pt -115.9 123.8 71.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.085 -0.961 . . . . 10.0 110.344 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 1.045 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -114.69 117.0 3.93 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.671 -0.776 . . . . 10.0 112.406 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.825 HD23 HD22 ' M' ' 17' ' ' LEU . 7.2 mp -104.49 83.54 2.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.76 0.314 . . . . 10.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.939 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.9 mpp? -95.91 89.67 5.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.818 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.597 HG21 HE22 ' M' ' 15' ' ' GLN . 1.2 p -124.98 125.7 70.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.598 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -145.86 169.07 27.38 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.492 -0.861 . . . . 10.0 112.213 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.41 139.72 5.87 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.864 -0.684 . . . . 10.0 111.564 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' L' ' 39' ' ' VAL . 34.9 m -127.51 130.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.539 -0.171 . . . . 10.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' N' ' 40' ' ' VAL . 13.4 m -146.42 169.76 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 1.9 mm -148.16 118.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.055 . . . . 10.0 108.509 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.601 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.976 0.417 . . . . 10.0 111.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.435 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.3 OUTLIER -81.38 136.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.643 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 13' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' M' ' 13' ' ' HIS . 68.1 t60 -64.89 128.3 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.541 -0.754 . . . . 10.0 112.065 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -122.59 87.96 2.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' O' ' 15' ' ' GLN . 18.7 tt0 -99.85 127.06 46.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -130.36 113.45 14.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.089 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.464 HD22 HD13 ' N' ' 34' ' ' LEU . 5.6 mp -111.91 120.56 42.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.462 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 4.8 t -122.77 118.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.006 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 19' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 61.3 m-85 -122.26 122.16 38.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.714 0.292 . . . . 10.0 111.017 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -105.71 125.66 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.332 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 102.01 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -110.38 104.55 13.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.69 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 52.6 m-20 -100.09 93.64 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.423 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 98.3 t -75.53 -28.34 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.18 -73.09 1.07 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.46 -0.876 . . . . 10.0 112.006 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 41.9 t -177.87 132.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 15.4 p30 -93.49 157.69 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 10.0 111.208 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.698 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 22.8 tptm -115.4 -80.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.548 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.73 94.56 0.13 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.427 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -101.74 145.95 28.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.874 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -119.45 116.69 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.885 0.85 . . . . 10.0 112.496 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.923 ' HB ' HG22 ' M' ' 32' ' ' ILE . 72.1 mt -108.67 112.27 39.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.751 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -106.94 118.89 5.74 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.274 -0.965 . . . . 10.0 113.41 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.752 HD12 ' HG ' ' M' ' 34' ' ' LEU . 77.5 mt -111.33 101.84 10.28 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.55 ' O ' ' HA ' ' O' ' 35' ' ' MET . 6.4 mtm -117.18 98.16 6.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.066 0.46 . . . . 10.0 110.059 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.9 p -130.17 129.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.172 0.51 . . . . 10.0 111.317 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.74 139.18 9.17 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.802 -0.713 . . . . 10.0 111.623 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.3 151.15 20.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.735 -0.745 . . . . 10.0 111.847 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 22.6 m -134.37 136.34 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.776 0.322 . . . . 10.0 111.542 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.586 ' HB ' ' CG1' ' M' ' 40' ' ' VAL . 74.7 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.92 0.391 . . . . 10.0 110.802 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.56 179.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.945 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -119.41 114.55 22.49 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -99.05 102.63 14.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.005 0.431 . . . . 10.0 111.559 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 15' ' ' GLN . . . . . 0.562 ' HB3' ' HG3' ' N' ' 15' ' ' GLN . 3.3 mt-30 -112.46 99.78 8.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 40.2 mtmt -111.51 116.76 31.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.072 0.463 . . . . 10.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.19 113.82 25.17 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.3 p -129.81 122.72 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.479 0.657 . . . . 10.0 112.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.49 135.7 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.387 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -113.66 117.5 31.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 105.04 9.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -116.91 124.52 49.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.838 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 23' ' ' ASP . . . . . 0.442 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.8 t70 -108.28 141.88 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.382 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 2.8 t -125.74 8.22 4.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.839 0.352 . . . . 10.0 110.793 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 119.669 -1.253 . . . . 10.0 114.327 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.03 105.01 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.885 0.343 . . . . 10.0 111.191 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.881 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 49.8 t-20 -89.02 103.46 16.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.864 0.364 . . . . 10.0 110.727 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' P' ' 28' ' ' LYS . 1.0 OUTLIER -72.06 -47.1 54.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.354 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.427 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 117.57 124.6 3.49 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.267 -0.968 . . . . 10.0 113.251 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -108.22 176.33 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 1.02 HD11 ' HB ' ' G' ' 39' ' ' VAL . 0.3 OUTLIER -125.73 109.66 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.68 0.753 . . . . 10.0 110.683 178.472 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.489 HD11 HG12 ' N' ' 32' ' ' ILE . 5.1 pt -110.64 110.66 32.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.18 -0.918 . . . . 10.0 109.418 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.46 116.56 5.37 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.371 -0.919 . . . . 10.0 112.565 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.04 102.76 12.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.5 mtm -117.58 103.23 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.092 0.472 . . . . 10.0 110.85 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.847 HG12 ' HB ' ' P' ' 36' ' ' VAL . 4.2 m -124.72 139.38 51.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.924 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.98 147.11 18.98 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 38' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -145.14 138.32 7.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.847 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.433 HG11 ' HA3' ' G' ' 33' ' ' GLY . 1.4 m -126.72 151.62 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' P' ' 40' ' ' VAL . 7.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 110.913 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.655 0.264 . . . . 10.0 110.432 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -111.09 112.43 24.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.018 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -129.5 97.05 4.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 12.3 ptmt -117.48 119.55 35.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.55 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.82 119.81 40.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.626 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -120.95 119.67 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.68 134.87 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.72 139.13 46.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.368 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.64 91.98 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 10.0 110.737 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -125.59 123.58 39.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASP . . . . . 0.607 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 7.1 t0 -125.02 130.07 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.151 0.5 . . . . 10.0 110.131 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.606 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 33.4 m -93.58 5.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.924 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.84 -78.68 0.28 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.111 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -133.76 106.46 7.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.535 0.207 . . . . 10.0 110.563 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.881 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.7 m120 -74.41 75.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' O' ' 28' ' ' LYS . 8.3 mmmm -58.83 -64.5 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.489 0.661 . . . . 10.0 109.893 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 91.12 151.35 26.51 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 115.295 -0.866 . . . . 10.0 112.089 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.35 -170.17 2.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.56 HD11 HG23 ' G' ' 39' ' ' VAL . 1.6 tt -105.6 118.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.13 0.491 . . . . 10.0 111.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.38 127.43 72.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.55 114.65 3.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.596 -0.812 . . . . 10.0 112.801 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.14 87.55 2.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA2' ' H' ' 37' ' ' GLY . 2.8 mpt? -100.77 103.85 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.77 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.847 ' HB ' HG12 ' O' ' 36' ' ' VAL . 44.9 t -126.05 121.41 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.97 134.87 8.38 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.543 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' GLY . . . . . 0.489 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -128.36 127.64 5.73 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.574 -0.611 . . . . 10.0 111.574 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.581 HG11 ' HA3' ' H' ' 33' ' ' GLY . 15.9 m -117.04 126.04 74.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.936 0.398 . . . . 10.0 111.367 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 47.3 t . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 10.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' H ' HG12 ' A' ' 12' ' ' VAL . 27.9 t60 -102.2 116.8 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.561 -1.199 . . . . 10.0 107.998 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -103.37 113.28 26.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.016 0.436 . . . . 10.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.03 115.41 20.49 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.873 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -130.26 122.46 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.67 104.73 9.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -115.87 123.04 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -109.53 110.67 21.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.116 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.74 100.24 10.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -106.97 119.93 40.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.923 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 2.5 mm-40 -85.59 167.18 15.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.02 103.68 4.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.442 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.663 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.2 t -132.46 -32.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.055 0.455 . . . . 10.0 110.246 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -104.86 -159.3 23.59 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.069 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -64.01 122.29 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.385 0.274 . . . . 10.0 110.492 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.38 156.88 35.42 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 16.7 tptm -153.25 -99.03 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.564 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.18 128.53 0.96 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.978 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.5 174.31 9.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 10.0 111.788 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 mm -121.38 92.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.799 HG22 ' HB ' ' B' ' 32' ' ' ILE . 11.7 pt -117.38 126.46 74.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.226 0.536 . . . . 10.0 112.21 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.14 116.43 3.62 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.573 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' B' ' 34' ' ' LEU . 80.3 mt -99.68 99.33 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.808 0.337 . . . . 10.0 111.266 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.76 18.72 18.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.106 0.479 . . . . 10.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 43.3 t -62.86 129.02 25.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.738 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.8 166.29 34.39 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.525 -0.845 . . . . 10.0 112.265 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -165.13 151.44 20.31 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.051 -0.82 . . . . 10.0 111.051 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.804 HG13 HG23 ' B' ' 39' ' ' VAL . 3.3 p -153.53 129.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.966 0.413 . . . . 10.0 111.167 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.084 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.981 0.419 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.518 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -107.15 94.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -77.55 111.44 13.28 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.14 89.59 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.368 0.604 . . . . 10.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -106.13 105.29 15.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -122.1 121.69 37.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.251 0.548 . . . . 10.0 111.958 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.12 115.24 27.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.183 -0.917 . . . . 10.0 109.619 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' C' ' 18' ' ' VAL . 11.0 t -116.53 120.41 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.08 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CZ ' HD11 ' B' ' 34' ' ' LEU . 84.1 m-85 -118.23 121.11 39.65 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' C' ' 20' ' ' PHE . 17.3 m-85 -108.14 121.84 45.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -138.53 95.83 3.05 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 3.9 pt-20 -105.61 94.9 5.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.502 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -79.95 89.6 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.758 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.663 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.7 t -87.65 -21.24 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.46 -65.97 1.11 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.194 -1.003 . . . . 10.0 111.475 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 49.4 m -157.72 119.52 3.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.2 m120 -64.63 153.33 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.157 0.504 . . . . 10.0 110.821 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 4.9 tppt? -147.61 -110.97 0.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.628 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -170.24 104.63 0.21 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.928 -1.129 . . . . 10.0 112.973 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -82.62 148.65 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' C' ' 31' ' ' ILE . 14.3 mm -97.73 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 32' ' ' ILE . 57.8 mt -120.57 120.83 63.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.055 0.455 . . . . 10.0 111.37 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.437 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -116.89 122.81 5.59 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.764 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -109.05 91.64 3.72 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.364 -0.235 . . . . 10.0 110.364 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -105.65 41.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.227 0.537 . . . . 10.0 110.471 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 28.0 t -78.66 109.14 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.378 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.88 140.34 11.5 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.709 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -139.74 135.39 7.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.035 -0.603 . . . . 10.0 111.778 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.804 HG23 HG13 ' A' ' 39' ' ' VAL . 12.1 p -129.59 133.85 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.017 0.437 . . . . 10.0 111.46 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' C' ' 40' ' ' VAL . 67.5 t -131.25 141.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.592 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.8 HG12 HG21 ' J' ' 31' ' ' ILE . 19.5 mt -60.01 129.95 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.587 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.593 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.668 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.996 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.009 0.433 . . . . 10.0 111.276 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.518 HG12 ' HB ' ' B' ' 12' ' ' VAL . 3.8 m -98.92 113.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -83.69 93.56 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.24 102.42 14.46 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.233 0.54 . . . . 10.0 111.965 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -115.63 92.66 3.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.293 -0.867 . . . . 10.0 108.919 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.632 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 84.5 tttt -105.93 119.89 40.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.314 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.484 HD13 HD23 ' C' ' 34' ' ' LEU . 21.3 mt -119.94 111.51 18.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.434 -0.95 . . . . 10.0 108.434 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' B' ' 18' ' ' VAL . 10.4 p -131.58 130.73 62.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.597 0.713 . . . . 10.0 112.676 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' D' ' 19' ' ' PHE . 52.3 m-85 -124.72 126.61 45.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.069 -0.968 . . . . 10.0 110.031 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . 98.0 m-85 -110.08 114.82 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.896 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.78 102.93 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.088 0.47 . . . . 10.0 109.763 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.51 ' HA ' ' HG3' ' B' ' 22' ' ' GLU . 53.0 mt-10 -102.12 129.05 48.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.909 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 1.7 t70 -117.63 124.04 47.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.678 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 17.4 m -128.46 13.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.129 0.49 . . . . 10.0 109.841 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -130.25 -63.47 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.005 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.1 p -175.17 90.63 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 64.2 t30 -62.56 151.57 37.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.325 0.583 . . . . 10.0 112.43 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 71.9 tttt -132.39 -98.95 0.29 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.307 -0.86 . . . . 10.0 110.402 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -169.28 106.6 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.565 -1.302 . . . . 10.0 113.524 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.42 153.68 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.653 HD12 HG22 ' K' ' 39' ' ' VAL . 7.0 pt -102.59 118.92 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.713 0.768 . . . . 10.0 112.094 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -123.06 101.14 9.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.99 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.54 109.43 3.44 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.642 -0.789 . . . . 10.0 112.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.3 mp -97.95 79.26 2.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.1 0.476 . . . . 10.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.805 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.5 mpp? -94.64 60.49 2.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.45 0.643 . . . . 10.0 110.118 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.7 t -91.75 120.14 40.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.145 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.857 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -134.85 147.0 18.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.199 -1.001 . . . . 10.0 113.225 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.92 145.49 17.21 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.932 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.2 t -137.7 131.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.769 0.319 . . . . 10.0 111.237 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' B' ' 40' ' ' VAL . 72.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.176 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 40.8 mt-10 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.482 0.182 . . . . 10.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.996 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 4.3 p -131.24 149.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.832 -0.347 . . . . 10.0 111.433 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 134.06 34.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.862 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.04 94.43 3.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.092 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 27.8 pt20 -116.48 132.59 56.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 10.0 111.506 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.632 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 36.9 ttpt -134.65 121.4 20.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.656 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.3 115.16 28.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.538 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.775 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.1 t -122.34 116.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.634 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' C' ' 19' ' ' PHE . 22.9 m-85 -118.68 125.35 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.674 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -108.87 121.62 45.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.85 105.3 8.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -109.04 101.18 10.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.29 118.26 31.05 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' CG2' ' C' ' 24' ' ' VAL . 69.3 t -109.65 -30.77 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.459 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.2 -103.71 1.32 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.601 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.476 ' H ' ' HA ' ' E' ' 26' ' ' SER . 0.8 OUTLIER -120.41 106.54 11.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.525 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -63.26 149.9 44.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.828 0.347 . . . . 10.0 110.874 -179.503 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 27.5 tttm -135.43 -84.71 0.39 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.836 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.87 102.81 0.16 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.021 -1.085 . . . . 10.0 113.596 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.708 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -87.02 161.88 17.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 2.0 pt -110.72 115.42 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.862 0.839 . . . . 10.0 111.473 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.08 108.69 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.771 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.874 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.8 110.45 3.41 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.663 -0.779 . . . . 10.0 112.207 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.2 mm? -97.54 84.62 3.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.611 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 10.7 mtm -100.54 71.84 1.54 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.171 0.51 . . . . 10.0 110.336 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.491 ' HB ' HG13 ' C' ' 36' ' ' VAL . 23.9 t -98.97 123.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.908 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.966 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -138.88 143.53 14.25 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.08 -1.057 . . . . 10.0 112.687 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 133.95 4.7 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.865 HG23 HD11 ' M' ' 31' ' ' ILE . 12.1 m -131.19 141.15 46.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.033 0.444 . . . . 10.0 112.191 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' E' ' 40' ' ' VAL . 39.5 t -131.45 132.08 62.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.344 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.17 131.5 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 10.0 111.096 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.657 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.842 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 4.4 mp0 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.624 0.726 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.43 142.44 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.996 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -90.42 106.93 18.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 106.65 18.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.7 tp60 -118.91 103.97 10.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -118.31 126.04 51.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.239 0.542 . . . . 10.0 111.759 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' F' ' 17' ' ' LEU . 13.0 mt -119.83 111.7 18.31 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.5 OUTLIER -122.71 119.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.321 0.581 . . . . 10.0 112.05 -179.04 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -120.64 124.0 44.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.595 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 108.94 9.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.044 0.45 . . . . 10.0 110.146 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.55 132.95 55.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.87 150.72 30.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 2.1 t -138.54 10.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.669 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' D' ' 25' ' ' GLY . . . -142.19 -57.81 0.03 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.249 -0.977 . . . . 10.0 114.136 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' D' ' 26' ' ' SER . 0.3 OUTLIER -168.69 124.45 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.014 0.407 . . . . 10.0 110.853 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -86.5 164.2 17.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 111.374 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 12.9 mttt -142.48 -97.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.378 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.708 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -172.42 103.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.964 -1.112 . . . . 10.0 113.631 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.62 149.72 27.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 7.9 mt -103.67 88.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.37 117.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.212 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.502 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -123.46 106.05 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.101 -1.047 . . . . 10.0 113.361 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -96.41 88.86 4.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -105.07 72.23 0.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.591 0.71 . . . . 10.0 110.451 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' F' ' 36' ' ' VAL . 31.3 m -101.38 133.72 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.609 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -138.41 152.52 22.02 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.413 -0.899 . . . . 10.0 112.729 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 128.93 4.19 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.928 HG21 ' HA3' ' M' ' 33' ' ' GLY . 55.2 t -126.29 117.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.061 0.458 . . . . 10.0 111.828 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' D' ' 40' ' ' VAL . 60.7 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.814 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.782 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 2.3 tp10 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.315 -0.254 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.984 ' HB ' HG12 ' G' ' 12' ' ' VAL . 7.2 t -89.82 91.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -71.92 126.68 30.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.431 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -125.3 97.24 5.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.175 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 8.1 tt0 -112.89 115.75 28.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -130.37 123.7 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.382 0.61 . . . . 10.0 112.385 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' E' ' 17' ' ' LEU . 7.3 mp -113.76 117.24 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.057 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.943 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.2 t -119.96 118.44 56.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -120.11 123.19 42.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -107.11 129.11 54.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.153 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.19 109.0 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.801 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -121.15 100.21 6.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.252 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.531 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 35.7 m-20 -103.16 104.3 14.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.351 0.596 . . . . 10.0 109.57 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.658 HG22 ' HA ' ' G' ' 24' ' ' VAL . 17.2 m -93.15 7.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.017 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' G' ' 25' ' ' GLY . . . -117.91 -90.91 1.46 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.023 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -137.83 100.35 4.16 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.77 142.27 58.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.179 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -124.38 -70.29 0.76 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 144.69 106.6 0.53 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 119.831 -1.176 . . . . 10.0 114.277 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -86.06 155.28 20.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.657 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 18.0 tt -104.93 111.82 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.705 0.764 . . . . 10.0 111.717 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.559 HG12 HD12 ' G' ' 32' ' ' ILE . 38.3 mt -114.71 114.26 46.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.676 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.81 111.09 3.44 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.282 -0.727 . . . . 10.0 111.282 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.2 mm? -95.09 72.61 3.38 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.456 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -84.42 70.51 10.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.815 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.2 t -103.31 110.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.243 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -120.81 146.63 17.57 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.538 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 142.54 13.53 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.985 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.8 t -134.96 135.46 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 122.095 0.158 . . . . 10.0 110.631 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.452 HG23 HG13 ' G' ' 40' ' ' VAL . 7.5 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.619 0.247 . . . . 10.0 110.537 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.984 HG12 ' HB ' ' F' ' 12' ' ' VAL . 12.7 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.097 0.475 . . . . 10.0 112.112 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -92.65 100.21 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 103.87 14.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.11 0.481 . . . . 10.0 112.072 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 4.2 tp60 -106.55 96.02 6.16 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.74 110.48 21.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.478 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' H' ' 17' ' ' LEU . 15.3 mt -118.1 113.83 22.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -131.67 131.06 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.3 127.14 42.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.66 119.35 37.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.774 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 117.6 30.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.8 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -120.57 115.09 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.783 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.414 ' O ' HG22 ' F' ' 24' ' ' VAL . 10.3 t70 -110.98 125.51 53.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.898 0.38 . . . . 10.0 110.343 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' F' ' 24' ' ' VAL . 2.9 t -114.7 9.5 7.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.094 0.474 . . . . 10.0 110.406 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' F' ' 25' ' ' GLY . . . -139.81 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.99 -1.1 . . . . 10.0 113.866 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -150.39 103.2 3.12 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.633 -0.334 . . . . 10.0 111.184 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.73 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 21.0 t-20 -62.06 146.86 49.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.364 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' H' ' 28' ' ' LYS . 25.4 tttp -126.18 -84.77 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 169.35 104.24 0.17 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 119.855 -1.164 . . . . 10.0 113.605 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.42 ' HA ' ' CA ' ' H' ' 29' ' ' GLY . . . -84.97 154.67 22.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.548 HD12 HG23 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -101.28 94.41 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.559 HD12 HG12 ' F' ' 32' ' ' ILE . 60.2 mt -104.52 105.14 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 10.0 110.842 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -109.69 92.97 0.73 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.607 HD21 HD13 ' G' ' 17' ' ' LEU . 14.5 tp -87.88 69.93 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 10.0 110.077 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HB2' ' H' ' 35' ' ' MET . 8.6 ptp -81.79 83.36 7.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.8 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.73 HG13 ' HB ' ' H' ' 36' ' ' VAL . 62.8 t -101.72 122.83 54.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.43 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' SD ' ' O' ' 35' ' ' MET . . . -127.26 141.84 12.99 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.52 -0.847 . . . . 10.0 112.172 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.27 120.86 1.21 Allowed Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.577 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.985 HG12 ' HB ' ' F' ' 39' ' ' VAL . 34.7 m -126.85 133.76 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.369 0.604 . . . . 10.0 111.329 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.452 HG13 HG23 ' F' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.611 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -56.25 133.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 123.437 0.461 . . . . 10.0 109.969 178.301 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.69 133.61 53.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -115.65 115.16 25.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.59 112.74 19.3 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.002 0.429 . . . . 10.0 111.459 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -119.44 111.26 17.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.491 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD23 ' G' ' 17' ' ' LEU . 7.2 mp -116.82 111.05 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.307 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -120.28 125.38 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.553 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.01 133.54 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -113.54 127.72 56.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.822 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.05 83.07 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.215 0.531 . . . . 10.0 109.857 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.22 160.41 14.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.217 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -154.67 138.05 15.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.401 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.48 20.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.29 -73.41 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -147.18 94.65 2.43 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.73 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 25.0 t-20 -52.47 126.36 19.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 0.7 OUTLIER -104.82 -90.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.053 0.454 . . . . 10.0 110.366 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' G' ' 30' ' ' ALA . . . 160.61 113.57 0.32 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.669 -0.777 . . . . 10.0 112.319 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.09 158.12 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.868 0.366 . . . . 10.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.548 HG23 HD12 ' G' ' 31' ' ' ILE . 1.7 mp -97.18 99.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.39 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -110.17 107.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.812 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.52 77.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.753 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.86 109.93 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.938 0.399 . . . . 10.0 110.701 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.535 ' HB2' ' HG3' ' G' ' 35' ' ' MET . 12.6 ttm -112.1 113.36 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.73 ' HB ' HG13 ' G' ' 36' ' ' VAL . 82.6 t -98.59 123.71 51.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.6 90.6 0.59 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.022 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.37 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' J' ' 11' ' ' GLU . 2.7 mp0 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.45 178.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.545 0.688 . . . . 10.0 112.534 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -101.59 113.48 26.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.662 -1.154 . . . . 10.0 109.298 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -99.62 101.65 12.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.74 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.57 117.76 35.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.595 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -121.61 115.51 22.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.072 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mp -128.35 106.21 8.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.91 134.09 60.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.262 0.553 . . . . 10.0 112.384 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.68 109.82 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.662 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -92.59 97.52 10.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 10.0 110.749 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.71 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.399 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 0.3 OUTLIER -84.47 164.73 18.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.203 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.87 108.02 6.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.105 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 14.6 t -136.46 -28.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.91 0.386 . . . . 10.0 110.723 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -112.69 -157.79 13.3 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.214 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 1.2 m -65.87 124.8 23.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.787 0.293 . . . . 10.0 110.42 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' J' ' 27' ' ' ASN . 1.0 OUTLIER -77.92 150.61 34.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.279 . . . . 10.0 111.675 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.431 ' HD3' ' HG3' ' J' ' 28' ' ' LYS . 15.9 mtpt -141.58 -90.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.29 121.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.086 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -78.95 168.94 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.039 0.447 . . . . 10.0 112.088 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.593 HD13 ' H ' ' B' ' 42' ' ' ALA . 16.1 mt -112.33 88.53 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.401 -0.963 . . . . 10.0 108.401 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.78 131.1 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 10.0 111.852 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.45 114.01 2.36 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.174 -0.771 . . . . 10.0 111.174 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -105.32 103.99 13.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.731 0.301 . . . . 10.0 111.518 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -116.97 16.61 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.243 0.544 . . . . 10.0 109.583 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' J' ' 36' ' ' VAL . 41.0 t -62.7 133.5 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.089 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -170.03 -173.69 37.63 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.79 -0.719 . . . . 10.0 111.913 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 160.87 24.38 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.27 -0.732 . . . . 10.0 111.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.542 HG13 HG23 ' J' ' 39' ' ' VAL . 8.1 p -152.33 141.63 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.82 0.31 . . . . 10.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.793 HG12 ' HB ' ' J' ' 40' ' ' VAL . 4.1 m -132.71 -173.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 pt -88.06 125.36 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.212 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.483 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HG3' ' I' ' 11' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.936 0.398 . . . . 10.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.715 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.8 t -102.97 107.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -83.6 118.46 23.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.24 87.98 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.847 0.356 . . . . 10.0 110.257 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.2 103.62 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.997 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -114.17 108.68 17.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.697 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' K' ' 17' ' ' LEU . 6.5 mp -110.62 106.36 15.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.842 ' HB ' HG12 ' K' ' 18' ' ' VAL . 28.0 t -115.16 118.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.506 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 79.7 m-85 -113.95 127.62 56.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.625 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -113.27 126.86 55.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.572 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.49 93.56 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.947 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 6.7 pt-20 -100.5 93.43 5.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -78.35 85.73 4.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.968 179.035 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.577 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 47.5 t -83.12 -26.07 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.16 -67.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.011 -1.09 . . . . 10.0 111.433 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 0.0 OUTLIER -156.75 121.91 4.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' I' ' 27' ' ' ASN . 8.4 m120 -65.73 156.73 32.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.35 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.746 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.0 OUTLIER -151.76 -116.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.208 178.389 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -156.31 87.99 0.12 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 119.848 -1.168 . . . . 10.0 114.009 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.504 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -75.68 141.24 42.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' K' ' 31' ' ' ILE . 1.5 tt -101.82 110.34 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 10.0 111.908 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -117.57 117.89 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.321 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.74 116.1 3.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.638 -0.791 . . . . 10.0 111.352 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' J' ' 19' ' ' PHE . 40.8 mt -107.08 100.22 9.72 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.645 -0.327 . . . . 10.0 111.141 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mmt -107.65 34.33 3.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.192 0.52 . . . . 10.0 110.113 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 22.3 t -72.29 118.7 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.918 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -151.61 137.32 5.92 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.214 -0.993 . . . . 10.0 112.977 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.87 139.0 10.58 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.567 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.591 HG13 HG23 ' K' ' 39' ' ' VAL . 3.6 p -130.0 127.89 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.95 0.405 . . . . 10.0 110.996 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.793 ' HB ' HG12 ' I' ' 40' ' ' VAL . 62.1 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.488 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 31.4 mm-40 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.658 0.265 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 12' ' ' VAL . . . . . 0.715 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -109.07 114.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 10.0 111.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -79.73 94.07 5.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -84.91 105.67 15.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.423 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -122.81 89.63 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.675 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -105.77 124.48 49.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.088 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' K' ' 34' ' ' LEU . 11.9 mt -123.41 111.71 16.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.408 -0.814 . . . . 10.0 108.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.842 HG12 ' HB ' ' J' ' 18' ' ' VAL . 5.5 m -124.86 130.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.313 0.577 . . . . 10.0 112.425 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -125.84 118.69 26.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.202 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -107.36 109.05 20.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.879 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.64 109.88 19.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 50.8 mt-10 -112.96 117.1 31.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.232 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.57 ' HB2' HD22 ' L' ' 27' ' ' ASN . 1.6 t70 -108.06 129.95 55.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.704 -0.225 . . . . 10.0 110.538 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 6.8 m -131.83 17.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.127 0.489 . . . . 10.0 109.92 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.4 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.241 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 89.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.536 0.334 . . . . 10.0 110.685 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 58.8 t30 -62.38 151.29 37.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 10.0 111.863 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.746 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 42.0 tttp -131.66 -92.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.067 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -170.7 104.52 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.592 -1.289 . . . . 10.0 113.697 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 139.46 34.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.913 ' HA ' HG23 ' J' ' 31' ' ' ILE . 0.3 OUTLIER -94.72 110.74 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 10.0 112.708 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.23 113.52 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.984 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 33' ' ' GLY . . . . . 0.932 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -117.76 119.68 4.49 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.598 -0.811 . . . . 10.0 112.735 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.675 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 7.3 mp -101.43 88.19 3.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 10.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.857 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.8 mpp? -94.57 61.15 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.742 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 24.0 t -95.3 115.14 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.033 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 37' ' ' GLY . . . . . 0.805 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -140.49 149.51 20.97 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.727 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.68 150.96 23.22 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.73 -0.748 . . . . 10.0 112.077 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.703 HG13 ' HB ' ' L' ' 39' ' ' VAL . 4.8 p -136.22 126.4 40.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 10.0 110.547 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.453 HG13 ' HB ' ' L' ' 40' ' ' VAL . 44.6 t -123.45 142.79 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.098 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.622 ' HA ' HG21 ' C' ' 31' ' ' ILE . 20.4 tt -81.32 134.45 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.95 0.405 . . . . 10.0 111.308 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.257 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 11' ' ' GLU . . . . . 0.489 ' HG3' ' HB3' ' M' ' 11' ' ' GLU . 81.2 mt-10 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 111.519 0.192 . . . . 10.0 111.519 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.536 HG22 ' H ' ' L' ' 13' ' ' HIS . 1.5 p -118.33 166.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 13' ' ' HIS . . . . . 0.536 ' H ' HG22 ' L' ' 12' ' ' VAL . 82.5 t60 -103.11 133.74 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.184 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -122.59 106.36 10.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -116.67 121.4 41.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.098 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -130.89 117.04 18.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 10.0 111.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.3 115.78 28.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.36 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.898 ' HB ' HG12 ' M' ' 18' ' ' VAL . 18.6 t -122.4 115.39 45.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.486 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -119.12 124.37 46.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -109.66 124.76 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.53 101.6 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -107.21 102.34 11.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.28 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.63 98.24 10.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.125 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.681 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 96.6 t -82.05 -32.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.04 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.53 -140.86 11.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.199 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -81.52 127.4 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 2.2 m-20 -82.64 156.51 23.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 3.0 ttpt -136.78 -81.69 0.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.11 100.67 0.16 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.641 -1.266 . . . . 10.0 113.942 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -89.16 162.26 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.079 -1.082 . . . . 10.0 108.079 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.845 HD11 ' HB ' ' D' ' 39' ' ' VAL . 3.4 tt -121.17 124.2 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.232 -0.587 . . . . 10.0 112.207 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -120.39 110.5 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.263 -0.881 . . . . 10.0 109.81 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.762 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -100.71 109.17 3.61 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.675 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -94.89 78.06 3.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.828 0.347 . . . . 10.0 110.7 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.966 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 4.9 mpp? -90.72 77.83 6.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.285 0.564 . . . . 10.0 109.784 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 23.9 t -105.83 125.58 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.09 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -140.31 158.51 25.95 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.341 -0.933 . . . . 10.0 112.727 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.71 138.54 5.48 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 1.051 HG13 HG12 ' M' ' 39' ' ' VAL . 0.3 OUTLIER -138.07 136.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.192 0.52 . . . . 10.0 112.144 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.453 ' HB ' HG13 ' K' ' 40' ' ' VAL . 69.5 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.079 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 11' ' ' GLU . . . . . 0.489 ' HB3' ' HG3' ' L' ' 11' ' ' GLU . 71.3 mm-40 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.167 0.508 . . . . 10.0 111.251 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 12' ' ' VAL . . . . . 0.416 ' N ' HG21 ' N' ' 12' ' ' VAL . 20.5 m -115.11 138.32 45.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.343 0.592 . . . . 10.0 112.284 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -79.67 111.43 15.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.873 -1.158 . . . . 10.0 107.873 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.07 97.41 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 10.0 111.028 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -104.3 108.88 20.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.609 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 16' ' ' LYS . . . . . 0.56 ' HB3' ' HG2' ' N' ' 16' ' ' LYS . 82.6 tttt -122.66 121.53 36.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.273 0.559 . . . . 10.0 111.59 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -121.34 114.16 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.4 OUTLIER -126.2 124.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.307 0.575 . . . . 10.0 112.35 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.608 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 20.2 m-85 -123.93 128.74 49.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.448 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -117.95 110.43 17.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.267 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.8 117.47 31.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -126.93 114.66 18.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.473 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.32 136.68 47.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.493 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.681 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -124.01 16.63 4.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.679 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.86 -66.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.897 -1.144 . . . . 10.0 113.776 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 33.2 m -158.16 98.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.582 -0.364 . . . . 10.0 110.772 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.16 140.89 43.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.317 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' L' ' 28' ' ' LYS . 9.0 mttp -114.16 -100.47 0.43 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.36 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -164.16 90.51 0.1 Allowed Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.801 -1.19 . . . . 10.0 113.654 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -80.0 137.06 36.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.865 HD11 HG23 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -96.08 107.02 19.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.385 0.612 . . . . 10.0 111.429 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.09 128.61 67.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.725 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 0.928 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -132.07 121.64 3.09 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.293 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.4 mp -108.15 98.5 8.04 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.557 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.8 mtm -105.06 93.04 4.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.484 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' N' ' 36' ' ' VAL . 2.1 p -127.12 121.25 57.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.281 0.563 . . . . 10.0 111.057 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 37' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -144.68 172.44 25.61 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.114 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.19 9.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.076 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 1.051 HG12 HG13 ' L' ' 39' ' ' VAL . 32.8 m -128.35 132.13 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.806 HG12 ' HB ' ' N' ' 40' ' ' VAL . 27.3 m -148.0 165.89 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.19 0.519 . . . . 10.0 112.05 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.457 HD11 HG21 ' D' ' 31' ' ' ILE . 4.5 mm -138.64 113.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.568 -179.564 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.369 0.604 . . . . 10.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.458 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.5 OUTLIER -76.29 140.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.667 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.27 136.46 54.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.792 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.47 71.65 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.229 -0.896 . . . . 10.0 108.947 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -86.17 115.13 23.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.546 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' M' ' 16' ' ' LYS . 17.4 mttt -129.31 113.56 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.263 0.554 . . . . 10.0 110.928 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.701 HD22 HD13 ' N' ' 34' ' ' LEU . 6.0 mp -113.03 129.26 56.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.726 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 3.3 t -127.18 119.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.905 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -119.6 124.81 47.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.724 0.297 . . . . 10.0 110.592 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -106.89 124.32 49.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.687 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 93.36 3.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.149 -0.685 . . . . 10.0 109.149 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -106.13 99.53 9.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.33 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.538 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 26.6 m-20 -97.01 105.95 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.233 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.558 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 85.6 t -82.35 -26.64 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.273 0.559 . . . . 10.0 109.925 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.89 -86.56 1.88 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.201 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.6 m -162.4 128.88 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.538 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.8 p30 -92.12 158.8 15.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 10.0 111.172 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 1.038 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 32.5 mttm -116.8 -75.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.434 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -168.82 80.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 119.92 -1.133 . . . . 10.0 113.73 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.441 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -85.21 132.51 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.709 HD12 HG13 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -97.33 119.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.57 0.7 . . . . 10.0 112.148 -179.451 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.566 HG12 HD12 ' O' ' 32' ' ' ILE . 74.1 mt -112.79 101.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.972 -1.013 . . . . 10.0 108.474 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.682 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -108.25 117.5 5.1 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.977 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.701 HD13 HD22 ' N' ' 17' ' ' LEU . 49.4 mt -109.19 107.36 17.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.554 ' O ' ' HA ' ' O' ' 35' ' ' MET . 5.8 mtm -115.63 101.19 8.62 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.6 p -132.29 131.03 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.127 0.489 . . . . 10.0 111.669 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' M' ' 37' ' ' GLY . . . -147.03 136.99 6.4 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.648 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.1 154.38 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.783 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 20.1 m -135.24 132.77 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.967 0.413 . . . . 10.0 111.904 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.806 ' HB ' HG12 ' M' ' 40' ' ' VAL . 69.3 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.78 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.082 0.468 . . . . 10.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -69.96 158.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 10.0 112.343 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -99.54 100.36 11.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.6 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -90.65 111.17 22.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.428 . . . . 10.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.0 105.07 11.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.776 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 1.7 tppp? -110.97 104.17 12.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.689 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.626 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -109.67 115.09 29.24 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.654 -0.869 . . . . 10.0 108.654 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 6.4 p -134.99 125.44 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 112.535 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.4 132.11 55.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.292 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.61 109.13 20.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.351 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.97 97.63 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.064 0.459 . . . . 10.0 109.836 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.05 127.7 56.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.911 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 23' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.3 t70 -111.94 145.57 39.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.647 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.1 t -126.78 8.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 10.0 110.439 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' N' ' 25' ' ' GLY . . . -148.34 -64.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.431 -0.89 . . . . 10.0 113.186 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.71 100.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.855 0.359 . . . . 10.0 110.838 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.575 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 38.0 t30 -78.86 122.69 26.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.61 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 1.038 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 28.3 tttm -88.37 -72.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.62 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 147.27 124.62 1.53 Allowed Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.297 -0.954 . . . . 10.0 112.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -105.17 168.93 8.74 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.338 -0.615 . . . . 10.0 109.338 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' P' ' 31' ' ' ILE . 2.6 pt -103.73 94.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.909 0.861 . . . . 10.0 110.85 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.566 HD12 HG12 ' N' ' 32' ' ' ILE . 61.4 mt -90.23 111.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.855 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.53 111.86 1.95 Allowed Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.182 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.11 101.39 10.19 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.554 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.6 mtm -113.24 98.38 7.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.176 0.512 . . . . 10.0 110.166 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.4 m -125.77 159.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.03 -179.28 48.01 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.391 -0.909 . . . . 10.0 112.09 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -170.66 152.58 19.06 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.459 -0.877 . . . . 10.0 112.939 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' P' ' 39' ' ' VAL . 2.4 m -126.81 145.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.585 HG13 HG22 ' N' ' 40' ' ' VAL . 2.7 p . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 10.0 111.07 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -111.54 97.69 6.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.851 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -115.68 119.1 34.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 14.5 ptmt -136.0 117.18 14.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.106 0.479 . . . . 10.0 111.627 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.4 mp -113.73 105.06 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.92 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.14 117.63 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.074 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -121.48 138.43 54.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.2 128.73 56.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.447 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.39 72.26 1.43 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.173 0.511 . . . . 10.0 109.962 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.09 130.15 53.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 6.1 t70 -133.14 125.97 30.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 10.0 110.262 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.56 -5.2 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.342 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.99 -64.44 0.37 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.507 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 20.2 m -157.05 113.64 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.575 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.1 m120 -73.95 77.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -55.18 -54.09 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.096 0.474 . . . . 10.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 91.96 132.78 5.83 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.73 -0.747 . . . . 10.0 112.783 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.74 -152.41 0.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.285 -0.265 . . . . 10.0 110.285 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.641 ' HA ' HG13 ' O' ' 31' ' ' ILE . 45.9 pt -104.37 125.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.898 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' O' ' 32' ' ' ILE . 25.7 mt -126.53 88.78 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.66 108.31 2.62 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.571 -0.824 . . . . 10.0 113.076 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' P' ' 34' ' ' LEU . 3.2 mm? -108.94 111.38 23.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.665 0.269 . . . . 10.0 110.441 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' O' ' 35' ' ' MET . 2.9 mpt? -115.77 103.57 10.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.94 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' O' ' 36' ' ' VAL . 40.5 t -126.88 114.82 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.692 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.468 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -131.45 156.6 21.92 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.081 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 38' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -138.14 154.08 22.66 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.409 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' O' ' 39' ' ' VAL . 18.5 m -130.63 131.24 64.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 10.0 111.034 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 29.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.703 -0.665 . . . . 10.0 110.379 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -87.53 109.89 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.611 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 51.9 m170 -98.27 93.27 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 28.6 tt0 -106.87 126.77 52.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.861 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -136.23 123.23 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.91 116.79 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 HG13 ' B' ' 18' ' ' VAL . 1.3 m -129.46 127.68 65.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.33 0.586 . . . . 10.0 112.169 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -112.14 100.54 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.33 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.84 97.68 11.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.582 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.57 131.78 47.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.083 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.971 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.4 mm-40 -88.65 153.56 21.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.998 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -128.8 94.48 3.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.608 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.4 t -128.33 -41.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.789 0.328 . . . . 10.0 111.068 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -96.62 -159.01 31.69 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.202 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -63.35 120.51 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.389 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.78 148.18 25.8 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.677 0.992 . . . . 10.0 113.677 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -160.78 166.82 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.169 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' B' ' 29' ' ' GLY . . . -101.48 155.92 18.95 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.241 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.1 137.67 46.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD13 ' B' ' 31' ' ' ILE . 21.5 mm -92.41 93.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.083 0.468 . . . . 10.0 110.253 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.868 HG22 ' HB ' ' B' ' 32' ' ' ILE . 7.8 pt -120.53 145.98 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.726 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA3' HG11 ' I' ' 39' ' ' VAL . . . -131.97 116.35 1.84 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.545 -0.622 . . . . 10.0 111.545 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' B' ' 34' ' ' LEU . 52.0 mt -100.01 94.11 6.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 10.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -107.23 23.29 14.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.474 0.654 . . . . 10.0 109.675 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' B' ' 36' ' ' VAL . 16.5 m -69.79 139.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 10.0 111.653 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -172.39 161.27 32.87 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.424 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.67 126.24 1.96 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG13 HG23 ' B' ' 39' ' ' VAL . 3.7 p -122.71 123.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.056 0.455 . . . . 10.0 111.02 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.31 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.046 0.451 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.864 ' HB ' HG12 ' C' ' 12' ' ' VAL . 4.0 t -106.91 90.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -72.4 116.77 13.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.463 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.611 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 21.2 m170 -112.38 92.88 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.2 tt0 -113.78 109.03 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.983 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.59 122.74 38.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 10.0 111.839 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.06 105.53 13.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.973 -1.012 . . . . 10.0 109.107 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 18' ' ' VAL . 10.5 t -111.37 120.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.6 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.14 121.53 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.07 119.66 40.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.374 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.67 100.07 5.18 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.971 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 30.5 mt-10 -98.09 92.84 5.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -83.17 83.87 7.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.033 0.444 . . . . 10.0 110.625 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.2 t -89.06 -25.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.027 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.26 -64.59 1.39 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.118 -1.039 . . . . 10.0 111.118 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.479 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 96.3 p -162.69 121.7 2.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.618 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 9.1 m120 -60.88 146.83 45.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.596 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' C' ' 28' ' ' LYS . 19.9 tptt -144.74 -36.25 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 29' ' ' GLY . . . 94.09 136.8 8.31 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.526 -0.845 . . . . 10.0 111.877 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 162.03 13.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.676 0.274 . . . . 10.0 111.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.47 HD13 ' HB ' ' A' ' 31' ' ' ILE . 22.7 mm -101.24 92.81 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.892 -1.151 . . . . 10.0 107.892 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.868 ' HB ' HG22 ' A' ' 32' ' ' ILE . 39.7 mt -116.31 126.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.368 0.604 . . . . 10.0 111.978 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.32 123.24 5.59 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.465 -0.788 . . . . 10.0 111.564 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' A' ' 34' ' ' LEU . 3.2 mm? -107.72 100.92 10.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -110.21 32.39 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 10.0 110.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HB ' HG12 ' A' ' 36' ' ' VAL . 24.0 t -72.79 101.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.787 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -133.68 143.73 15.49 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.315 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.43 146.49 17.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.027 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 39' ' ' VAL . 11.5 p -134.03 134.52 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.969 0.414 . . . . 10.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.701 HG22 ' HB ' ' C' ' 40' ' ' VAL . 79.6 t -133.9 133.23 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.879 ' HB ' HG21 ' J' ' 31' ' ' ILE . 16.4 tt -67.83 129.34 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.957 0.408 . . . . 10.0 111.1 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.882 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.71 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.305 0.574 . . . . 10.0 111.258 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.864 HG12 ' HB ' ' B' ' 12' ' ' VAL . 2.8 m -107.54 110.77 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.125 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -77.58 99.55 5.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -91.66 107.52 19.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.325 0.584 . . . . 10.0 111.617 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.52 95.45 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.265 -0.879 . . . . 10.0 109.033 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.509 ' HD3' ' HD2' ' D' ' 16' ' ' LYS . 87.9 tttt -108.4 121.96 46.03 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.47 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' D' ' 17' ' ' LEU . 1.4 mt -120.25 114.25 21.62 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 7.2 p -133.13 126.96 54.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.598 0.713 . . . . 10.0 112.283 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.954 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.39 110.9 22.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.97 103.73 10.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -108.48 112.52 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.482 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.762 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.4 OUTLIER -104.18 130.16 51.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.572 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.5 m -134.31 18.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 10.0 109.563 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.38 -66.15 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.338 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -170.62 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.086 0.554 . . . . 10.0 109.719 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.554 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 60.6 t30 -58.18 144.31 41.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.121 0.486 . . . . 10.0 112.145 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.688 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 56.0 tttp -132.09 -13.63 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.92 148.8 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.495 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.404 ' HB2' ' HA2' ' D' ' 29' ' ' GLY . . . -129.26 166.24 19.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.775 HD12 HG22 ' K' ' 39' ' ' VAL . 1.5 pt -100.89 121.16 51.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.517 0.675 . . . . 10.0 110.694 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.4 mt -129.98 111.64 21.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.822 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.64 117.66 4.54 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.625 -0.797 . . . . 10.0 111.713 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.6 mp -104.78 87.07 2.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.954 0.407 . . . . 10.0 110.494 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' D' ' 35' ' ' MET . 0.8 OUTLIER -95.15 50.96 1.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.995 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 22.1 t -83.58 108.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.082 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -126.53 142.53 13.65 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.863 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.65 152.34 19.25 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.793 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.1 t -143.2 132.93 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.877 0.37 . . . . 10.0 111.262 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.701 ' HB ' HG22 ' B' ' 40' ' ' VAL . 68.9 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.81 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.71 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.2 p -131.86 164.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' HIS . . . . . 0.425 ' H ' HG22 ' D' ' 12' ' ' VAL . 3.6 t60 -88.37 133.24 34.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 10.0 111.68 -178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.21 89.53 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.675 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -120.55 135.7 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.696 0.628 . . . . 10.0 112.696 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.509 ' HD2' ' HD3' ' C' ' 16' ' ' LYS . 37.1 ttpt -136.34 124.11 22.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.766 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' C' ' 17' ' ' LEU . 7.0 mp -110.64 114.25 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.238 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.792 ' HB ' HG12 ' E' ' 18' ' ' VAL . 18.1 t -119.56 116.54 51.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.478 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -115.13 124.77 52.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.677 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -107.36 121.28 44.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.58 99.09 5.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -104.92 93.38 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.79 115.86 24.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.482 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.492 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.1 t -110.16 -29.82 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.802 0.334 . . . . 10.0 111.491 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.95 -80.95 1.35 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.257 -0.973 . . . . 10.0 112.81 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -149.86 115.15 5.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.762 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -64.4 150.97 45.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.662 ' HA ' ' HD3' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -138.2 -40.32 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.685 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' C' ' 30' ' ' ALA . . . 111.63 114.31 3.41 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.29 -0.957 . . . . 10.0 114.203 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.582 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -98.71 172.39 7.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 4.7 pt -113.48 115.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.761 0.791 . . . . 10.0 111.065 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.422 HG12 HD11 ' E' ' 32' ' ' ILE . 27.2 mt -116.89 117.64 56.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.018 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.758 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -112.72 112.5 3.0 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.056 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.4 mm? -100.16 74.1 1.75 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 10.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.716 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 9.3 mtm -89.23 69.12 8.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 34.9 t -100.1 125.37 53.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.996 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.37 155.48 25.21 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.645 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' E' ' 38' ' ' GLY . . . -161.39 132.96 3.0 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.655 -0.783 . . . . 10.0 111.844 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 1.002 HG23 HD11 ' M' ' 31' ' ' ILE . 6.3 m -134.99 149.92 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.572 0.225 . . . . 10.0 111.372 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.611 HG23 ' HB ' ' E' ' 40' ' ' VAL . 12.1 p -149.89 142.35 17.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.195 0.521 . . . . 10.0 111.475 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.404 HD12 ' O ' ' M' ' 29' ' ' GLY . 6.7 tt -72.02 138.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.843 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.299 179.517 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' F' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.614 0.721 . . . . 10.0 110.539 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -90.29 157.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.897 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.92 97.48 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -88.86 111.52 22.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.061 0.458 . . . . 10.0 110.543 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -124.68 103.83 8.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.997 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -114.31 121.36 43.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.53 HD13 HD23 ' E' ' 34' ' ' LEU . 25.1 mt -119.87 113.61 20.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.4 OUTLIER -126.53 125.59 67.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -178.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -121.28 118.4 29.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.407 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -107.83 112.73 25.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.69 0.281 . . . . 10.0 110.883 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -125.78 110.73 14.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.34 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -118.66 133.49 55.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.895 0.378 . . . . 10.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.457 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.3 OUTLIER -114.25 146.9 39.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.605 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.425 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.4 t -137.69 6.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.637 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.52 -68.93 0.07 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.482 -0.866 . . . . 10.0 113.251 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -163.41 115.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.178 0.489 . . . . 10.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.52 159.58 34.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.54 0.686 . . . . 10.0 112.039 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -136.09 -116.76 0.17 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.335 178.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -153.87 93.39 0.14 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.15 -1.024 . . . . 10.0 113.015 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -73.99 149.08 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 9.8 mt -111.7 90.32 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.422 HD11 HG12 ' D' ' 32' ' ' ILE . 11.3 pt -112.61 114.73 47.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 10.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.411 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -117.7 109.58 1.87 Allowed Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.484 -0.865 . . . . 10.0 113.168 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.767 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 6.8 mp -93.82 82.91 4.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ptp -97.7 75.17 2.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.537 0.684 . . . . 10.0 110.646 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' F' ' 36' ' ' VAL . 27.2 m -106.78 136.52 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.991 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.896 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -150.78 140.55 7.99 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.155 -1.022 . . . . 10.0 113.033 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . 0.402 ' O ' ' HA2' ' D' ' 38' ' ' GLY . . . -127.01 141.19 12.44 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 1.075 HG21 ' HA3' ' M' ' 33' ' ' GLY . 39.4 t -131.5 123.68 53.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.949 0.404 . . . . 10.0 111.621 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' D' ' 40' ' ' VAL . 95.2 t . . . . . 0 C--O 1.237 0.417 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.911 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.067 0.461 . . . . 10.0 110.246 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.766 ' HB ' HG12 ' G' ' 12' ' ' VAL . 8.8 t -76.0 109.1 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' F' ' 15' ' ' GLN . 7.9 t60 -88.49 118.69 28.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.57 0.224 . . . . 10.0 110.73 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -111.14 86.57 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.148 0.499 . . . . 10.0 110.143 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' F' ' 13' ' ' HIS . 4.6 tt0 -103.61 114.72 29.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.385 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' HG2' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -136.86 120.79 17.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.367 0.603 . . . . 10.0 112.304 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.8 mp -115.82 119.12 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.628 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.79 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.5 t -121.39 121.39 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.391 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.4 127.35 53.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.06 122.23 46.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' E' ' 21' ' ' ALA . . . -131.83 95.39 3.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.659 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -108.37 101.86 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.377 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.538 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 72.6 m-20 -102.55 111.39 23.68 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.5 HG22 ' O ' ' G' ' 23' ' ' ASP . 17.0 m -102.51 -1.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.69 -87.94 1.62 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.174 -1.013 . . . . 10.0 112.861 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.42 101.52 5.19 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.85 147.01 51.38 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.2 0.524 . . . . 10.0 111.757 -178.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -131.95 -57.78 0.97 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 118.72 120.58 2.96 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.156 -1.021 . . . . 10.0 112.857 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -92.58 156.73 16.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.612 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 19.5 tt -105.08 106.11 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.843 0.83 . . . . 10.0 110.848 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.448 HG12 HD12 ' G' ' 32' ' ' ILE . 44.0 mt -115.2 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.595 -1.184 . . . . 10.0 110.714 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.24 112.11 4.03 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.8 mm? -91.69 72.74 5.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.664 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.5 mpt? -86.99 66.93 9.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.665 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.7 t -101.84 123.06 54.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.201 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -134.26 156.05 22.19 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.604 -0.808 . . . . 10.0 112.886 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.62 145.55 15.41 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.803 -0.519 . . . . 10.0 111.803 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.976 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.0 t -144.87 138.39 22.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 10.0 111.178 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.599 HG23 HG13 ' G' ' 40' ' ' VAL . 9.8 p . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' F' ' 12' ' ' VAL . 5.8 m . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.17 104.8 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.817 -1.179 . . . . 10.0 107.817 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -93.09 119.91 32.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -122.94 89.29 3.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HG3' ' F' ' 16' ' ' LYS . 0.2 OUTLIER -106.01 112.43 25.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.562 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.583 ' HB2' ' HG ' ' F' ' 17' ' ' LEU . 56.0 mt -118.75 117.92 30.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.79 HG12 ' HB ' ' F' ' 18' ' ' VAL . 1.6 m -129.73 129.49 66.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.305 0.574 . . . . 10.0 112.044 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -125.13 119.49 28.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.844 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -101.8 116.39 32.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.74 112.95 12.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.036 0.446 . . . . 10.0 109.93 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.704 ' HG2' ' HB3' ' H' ' 22' ' ' GLU . 4.6 pt-20 -126.91 134.12 50.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.017 0.437 . . . . 10.0 111.648 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.585 ' HA ' ' OD1' ' H' ' 23' ' ' ASP . 0.1 OUTLIER -104.3 146.11 29.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.54 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 79.2 t -127.69 -20.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.178 0.514 . . . . 10.0 110.787 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -121.14 -65.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.58 -0.819 . . . . 10.0 113.134 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -153.1 110.68 3.55 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.565 -0.374 . . . . 10.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.639 ' HA ' ' CB ' ' H' ' 27' ' ' ASN . 23.9 t-20 -64.77 152.21 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.535 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' H' ' 28' ' ' LYS . 59.2 tttp -131.65 -50.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.465 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 113.18 122.45 3.92 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.162 -1.018 . . . . 10.0 112.722 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.775 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -93.36 166.91 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.768 0.318 . . . . 10.0 111.022 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' O' ' 39' ' ' VAL . 0.0 OUTLIER -106.39 90.22 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 179.156 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' F' ' 32' ' ' ILE . 13.3 mt -107.73 116.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.189 0.518 . . . . 10.0 111.396 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 102.63 1.09 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.708 -0.758 . . . . 10.0 111.591 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.787 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 5.6 mp -89.36 68.58 7.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.949 0.404 . . . . 10.0 110.758 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.474 ' HA ' ' HB2' ' F' ' 35' ' ' MET . 6.0 ptp -81.17 80.07 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.844 0.831 . . . . 10.0 110.208 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' H' ' 36' ' ' VAL . 42.0 t -105.23 111.64 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.413 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.89 118.63 3.51 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.636 -0.792 . . . . 10.0 111.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 121.09 3.97 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.701 -0.761 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.976 HG12 ' HB ' ' F' ' 39' ' ' VAL . 35.9 m -124.76 155.0 32.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.264 0.554 . . . . 10.0 111.68 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' F' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.565 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.19 136.9 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.877 0.37 . . . . 10.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.26 123.5 18.36 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.882 1.067 . . . . 10.0 113.882 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -121.13 98.95 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.141 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.36 143.68 33.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.939 0.399 . . . . 10.0 111.091 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -152.89 116.37 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.628 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.64 119.09 33.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.696 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.32 117.69 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -118.11 144.79 45.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 10.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -125.26 120.96 32.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.623 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.7 81.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.719 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.704 ' HB3' ' HG2' ' G' ' 22' ' ' GLU . 0.0 OUTLIER -109.84 151.26 27.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.197 -179.288 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.585 ' OD1' ' HA ' ' G' ' 23' ' ' ASP . 0.6 OUTLIER -135.64 155.86 49.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.103 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 21.7 t -120.47 -33.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.337 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -93.78 -75.91 1.31 Allowed Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.497 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -136.29 133.56 37.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.639 ' CB ' ' HA ' ' G' ' 27' ' ' ASN . 9.1 t-20 -74.58 147.94 41.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' G' ' 28' ' ' LYS . 21.5 mtpt -130.89 -172.3 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.132 0.492 . . . . 10.0 111.64 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.775 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -108.19 92.6 0.75 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.459 -0.792 . . . . 10.0 112.358 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.14 139.31 42.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.452 HG12 HD12 ' G' ' 31' ' ' ILE . 4.2 mt -98.05 107.61 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -125.44 113.04 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 10.0 111.469 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.01 99.33 1.51 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.286 -0.726 . . . . 10.0 111.286 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.787 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.6 mm? -84.08 69.98 10.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 10.0 111.493 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.441 ' HE3' ' HG3' ' G' ' 35' ' ' MET . 4.5 tpt -79.34 87.05 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.826 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' G' ' 36' ' ' VAL . 38.7 t -109.65 112.86 42.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.408 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.876 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -121.79 126.2 6.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 10.0 111.459 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.047 -179.701 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.551 ' HA ' HG22 ' J' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.954 0.407 . . . . 10.0 110.689 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.81 156.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -79.94 107.25 12.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.285 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.72 91.45 5.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.344 0.592 . . . . 10.0 110.616 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -106.86 123.45 48.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.392 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -130.41 127.82 40.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.29 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' J' ' 17' ' ' LEU . 3.3 mp -126.22 121.23 32.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -143.48 128.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.355 0.598 . . . . 10.0 112.229 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.71 107.16 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.361 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -89.98 86.82 6.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 116.41 29.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.949 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 47.4 mm-40 -81.43 157.13 25.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.2 0.524 . . . . 10.0 111.476 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.06 107.28 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.926 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 13.0 t -136.77 -33.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.775 -0.37 . . . . 10.0 111.477 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -108.98 -151.86 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.453 -0.879 . . . . 10.0 113.12 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.8 OUTLIER -64.66 121.61 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 146.62 54.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.761 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.2 mtpt -156.16 -179.06 7.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.199 -0.91 . . . . 10.0 109.09 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.09 141.26 16.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.159 -1.02 . . . . 10.0 113.08 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.43 130.77 42.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.762 0.315 . . . . 10.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' J' ' 31' ' ' ILE . 12.8 mt -89.77 97.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' J' ' 32' ' ' ILE . 10.2 mt -117.35 136.05 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.432 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG11 ' A' ' 39' ' ' VAL . . . -115.99 115.02 3.25 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.461 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.49 88.63 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 10.0 111.845 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.47 12.53 37.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.627 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' J' ' 36' ' ' VAL . 12.5 m -63.39 145.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.427 -0.806 . . . . 10.0 111.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 173.66 -163.41 34.63 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.927 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.52 160.45 21.96 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.814 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.673 HG13 HG23 ' J' ' 39' ' ' VAL . 2.7 p -145.12 120.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.404 0.621 . . . . 10.0 111.153 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' J' ' 40' ' ' VAL . 10.7 t -127.01 157.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 pt -65.21 112.06 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 10.0 111.309 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.595 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.829 0.347 . . . . 10.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' K' ' 12' ' ' VAL . 18.8 t -93.27 93.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.05 117.96 16.45 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.881 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.71 98.29 7.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.894 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HG2' HD11 ' J' ' 17' ' ' LEU . 5.0 tt0 -113.72 106.35 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.482 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -115.02 109.06 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.79 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.2 mp -107.73 99.91 9.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.764 ' HB ' HG12 ' K' ' 18' ' ' VAL . 14.0 t -112.73 119.87 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.09 0.471 . . . . 10.0 110.838 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -110.51 126.02 53.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.998 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -140.94 99.83 3.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.949 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.2 pt-20 -102.47 90.9 4.02 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.694 0.627 . . . . 10.0 112.694 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 1.0 OUTLIER -76.19 84.12 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.046 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 31.9 t -86.56 -15.18 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.254 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -67.52 0.88 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.171 -1.014 . . . . 10.0 110.965 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 73.8 m -157.07 118.43 3.71 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' I' ' 26' ' ' SER . 9.6 m120 -62.92 146.5 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.237 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.761 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 2.1 ttmt -144.88 -28.72 0.47 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.619 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.78 125.78 3.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.354 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.55 156.19 17.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.879 HG21 ' HB ' ' B' ' 41' ' ' ILE . 2.4 tp -102.62 92.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.708 0.766 . . . . 10.0 109.533 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' I' ' 32' ' ' ILE . 11.5 mm -106.58 131.91 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.433 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' B' ' 39' ' ' VAL . . . -123.97 116.15 2.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.862 -0.895 . . . . 10.0 110.862 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 mt -111.48 106.68 15.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.866 0.333 . . . . 10.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.93 43.19 2.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.453 0.644 . . . . 10.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 46.5 t -79.27 110.97 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.345 -0.843 . . . . 10.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.68 142.95 11.13 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.684 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.64 148.57 19.69 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.97 -0.633 . . . . 10.0 111.72 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' K' ' 39' ' ' VAL . 4.5 p -131.76 130.91 62.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.965 0.412 . . . . 10.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.799 ' HB ' HG13 ' I' ' 40' ' ' VAL . 54.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.286 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.542 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 49.5 mm-40 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 12' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -128.35 103.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -74.16 100.85 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -93.31 106.55 18.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.95 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.72 100.39 6.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.526 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 82.3 tttt -110.71 129.97 55.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.338 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' L' ' 17' ' ' LEU . 1.4 mt -128.89 110.24 11.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.764 HG12 ' HB ' ' J' ' 18' ' ' VAL . 2.7 m -125.71 129.44 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.309 0.576 . . . . 10.0 112.073 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.83 121.0 35.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.04 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -108.48 101.34 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' J' ' 21' ' ' ALA . . . -106.84 112.32 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 68.6 mt-10 -113.49 115.85 28.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.521 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.1 t70 -100.68 124.48 46.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.921 0.391 . . . . 10.0 110.185 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.93 5.24 5.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.004 0.431 . . . . 10.0 110.077 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.94 -67.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.569 -0.824 . . . . 10.0 113.242 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -163.26 94.02 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 27' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.5 t30 -64.2 145.76 55.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 10.0 111.548 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 44.5 tttm -130.31 -10.35 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 140.14 7.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.52 156.58 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.743 HG23 ' HB ' ' L' ' 31' ' ' ILE . 0.2 OUTLIER -100.37 113.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.493 0.663 . . . . 10.0 111.702 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.7 mt -124.8 123.14 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.547 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 33' ' ' GLY . . . . . 0.793 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -121.06 127.83 7.14 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.632 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.612 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 10.4 mp -108.08 93.9 4.78 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.526 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 1.8 mpt? -96.76 48.49 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.169 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' L' ' 36' ' ' VAL . 17.0 t -83.66 106.14 13.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.411 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 37' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -131.25 148.17 18.81 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.338 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.37 154.28 25.86 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.775 HG22 HD12 ' C' ' 31' ' ' ILE . 7.5 p -139.59 127.08 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.867 0.365 . . . . 10.0 110.516 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' L' ' 40' ' ' VAL . 46.4 t -127.27 143.24 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.819 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' C' ' 31' ' ' ILE . 16.3 tt -66.89 142.09 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.86 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.729 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 11' ' ' GLU . . . . . 0.987 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 49.9 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.243 0.068 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.614 HG22 ' H ' ' L' ' 13' ' ' HIS . 3.6 p -147.44 172.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 10.0 112.181 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 13' ' ' HIS . . . . . 0.614 ' H ' HG22 ' L' ' 12' ' ' VAL . 2.8 t60 -92.66 136.81 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.143 0.497 . . . . 10.0 112.112 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -130.23 88.55 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -113.2 129.39 56.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.372 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 36.5 ttpt -137.82 121.4 17.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' K' ' 17' ' ' LEU . 6.8 mp -112.33 119.65 39.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.614 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' M' ' 18' ' ' VAL . 14.7 t -124.08 115.24 44.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.349 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -116.19 127.29 54.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 25.8 m-85 -109.71 129.17 55.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.192 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 90.84 2.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.85 91.16 4.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.386 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.427 ' HB3' ' OD1' ' L' ' 27' ' ' ASN . 1.3 m-20 -90.2 90.88 8.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.394 0.616 . . . . 10.0 110.89 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 59.4 t -80.35 -19.79 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.788 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.07 -139.15 9.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.181 -1.009 . . . . 10.0 112.146 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 120.78 26.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.516 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 2.3 m-20 -78.44 152.48 32.12 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 0.9 OUTLIER -138.03 -32.64 0.73 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.932 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.65 114.98 3.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.263 -0.97 . . . . 10.0 114.583 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.604 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -97.3 177.64 5.49 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.911 HD11 ' HB ' ' D' ' 39' ' ' VAL . 2.3 tt -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 10.0 112.279 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.44 122.14 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.432 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -110.73 107.92 2.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.561 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -95.22 75.04 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.745 0.307 . . . . 10.0 110.792 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.996 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.2 mpp? -89.11 75.14 7.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.37 0.605 . . . . 10.0 110.387 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 20.1 t -106.62 130.31 58.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.331 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.716 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.49 165.79 27.43 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.086 -1.054 . . . . 10.0 112.858 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.16 137.25 4.56 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 1.008 HG13 HG12 ' M' ' 39' ' ' VAL . 0.4 OUTLIER -137.16 138.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.234 0.517 . . . . 10.0 112.246 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 70.7 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.438 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 11' ' ' GLU . . . . . 0.987 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 37.7 mm-40 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.615 0.721 . . . . 10.0 110.118 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 12' ' ' VAL . . . . . 0.417 HG12 ' H ' ' L' ' 12' ' ' VAL . 28.5 m -107.88 143.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.162 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.09 102.06 12.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.48 114.48 26.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.563 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -124.09 105.37 9.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.074 0.464 . . . . 10.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.48 120.58 41.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.88 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.421 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 22.8 mt -121.2 110.88 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.4 m -125.38 126.15 70.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -122.95 120.18 32.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.5 -0.773 . . . . 10.0 108.929 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 71.4 m-85 -109.98 108.35 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.62 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.72 119.22 37.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.33 119.2 31.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.69 133.9 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.525 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.4 t -127.41 16.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.97 -72.08 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.167 -1.016 . . . . 10.0 113.531 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -157.59 99.79 1.75 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.637 -0.331 . . . . 10.0 111.576 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 27' ' ' ASN . . . . . 0.422 HD22 ' CG ' ' L' ' 23' ' ' ASP . 28.0 t-20 -69.32 149.66 48.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.523 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 4.5 mttp -121.13 -91.09 0.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.604 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -169.05 71.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.668 -1.253 . . . . 10.0 113.788 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HB1' ' L' ' 30' ' ' ALA . . . -72.48 122.79 21.88 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 1.002 HD11 HG23 ' D' ' 39' ' ' VAL . 13.6 tt -97.47 119.75 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 121.61 0.719 . . . . 10.0 112.644 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.819 HG22 ' HB ' ' N' ' 32' ' ' ILE . 7.0 pt -120.23 130.54 74.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.966 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 1.075 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -122.43 125.6 6.1 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.496 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.6 mp -108.58 82.76 1.66 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.125 0.488 . . . . 10.0 110.352 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.896 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 5.4 mpp? -91.3 91.82 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.912 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.486 HG13 HG13 ' L' ' 36' ' ' VAL . 1.5 p -128.58 125.94 64.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.87 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -149.94 173.57 29.62 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.813 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.82 147.1 9.17 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.16 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 1.008 HG12 HG13 ' L' ' 39' ' ' VAL . 35.7 m -128.15 133.03 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' N' ' 40' ' ' VAL . 25.4 m -146.24 166.68 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 10.0 111.656 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.479 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.6 mm -142.54 126.51 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.107 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 11' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' O' ' 12' ' ' VAL . 10.3 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.488 0.661 . . . . 10.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.409 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.0 OUTLIER -72.95 138.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.334 -0.848 . . . . 10.0 111.696 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 126.78 30.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.814 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -117.82 97.89 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.303 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -100.45 125.31 46.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.353 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -128.89 98.69 5.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.458 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.7 mp -105.5 114.55 28.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.725 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 5.4 t -119.35 117.39 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.245 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.99 121.2 37.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.555 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.84 130.57 54.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.97 96.05 3.33 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -107.07 99.08 8.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.315 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.679 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 11.2 m-20 -99.17 101.96 13.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.153 0.501 . . . . 10.0 110.797 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.41 -22.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.077 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 25' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.36 -83.7 1.73 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.372 -0.918 . . . . 10.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -161.03 124.35 3.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.559 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 30.0 p30 -95.9 155.28 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.103 0.477 . . . . 10.0 111.561 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 99.0 mttt -112.16 -88.92 0.52 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.537 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -153.1 79.68 0.19 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.968 -1.111 . . . . 10.0 113.275 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.23 118.45 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.847 -0.798 . . . . 10.0 108.847 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.846 HG12 HG23 ' M' ' 31' ' ' ILE . 0.2 OUTLIER -96.31 113.23 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.941 0.877 . . . . 10.0 112.41 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.819 ' HB ' HG22 ' M' ' 32' ' ' ILE . 74.6 mt -110.3 106.97 21.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.89 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -104.01 118.62 6.04 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.558 -0.83 . . . . 10.0 112.911 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' M' ' 34' ' ' LEU . 75.7 mt -106.17 115.55 30.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.72 -0.845 . . . . 10.0 108.72 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.49 ' O ' ' HA ' ' O' ' 35' ' ' MET . 7.2 mtm -127.18 96.26 4.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 2.2 p -130.47 128.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.256 0.55 . . . . 10.0 111.889 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.664 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -140.84 138.95 9.26 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.414 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.13 154.17 20.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.612 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 15.4 m -137.61 134.26 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.808 0.337 . . . . 10.0 111.675 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.732 ' HB ' HG12 ' M' ' 40' ' ' VAL . 54.2 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.762 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' N' ' 11' ' ' GLU . 49.3 mt-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.2 0.524 . . . . 10.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 12' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' N' ' 11' ' ' GLU . 19.1 m -91.96 -173.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -114.69 104.92 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.014 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -91.22 107.87 19.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.71 99.83 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -111.04 113.32 25.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.437 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.603 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -113.59 112.75 24.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 5.1 p -133.54 123.44 46.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.448 0.642 . . . . 10.0 112.471 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -120.8 128.25 52.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.531 -0.758 . . . . 10.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -106.47 110.85 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.0 110.95 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.54 125.9 50.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.961 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 0.8 OUTLIER -110.35 145.42 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.021 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.499 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 3.1 t -133.59 7.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.202 0.525 . . . . 10.0 109.823 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.76 -80.23 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.123 -1.036 . . . . 10.0 113.26 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.73 99.26 3.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.751 0.276 . . . . 10.0 111.07 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.911 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 47.7 t30 -88.55 107.65 19.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 10.0 111.16 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.592 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 2.4 tttm -78.36 -33.73 48.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.31 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 125.34 5.61 Favored Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.57 -0.741 . . . . 10.0 113.526 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.582 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -97.79 157.27 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.525 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -104.37 125.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.285 0.564 . . . . 10.0 110.029 178.817 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.82 124.21 71.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.099 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -113.26 104.71 1.56 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.788 -0.72 . . . . 10.0 111.959 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.91 85.55 2.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.848 0.356 . . . . 10.0 110.226 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.543 ' O ' ' HA ' ' P' ' 35' ' ' MET . 0.0 OUTLIER -102.24 95.58 6.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.294 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' N' ' 36' ' ' VAL . 25.6 m -126.03 166.61 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.265 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.18 -171.07 43.35 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.696 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.86 158.66 21.76 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.081 -1.056 . . . . 10.0 113.173 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 31' ' ' ILE . 2.7 m -119.37 150.84 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.706 HG13 HG22 ' N' ' 40' ' ' VAL . 2.3 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.892 0.377 . . . . 10.0 111.251 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 t60 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.9 0.381 . . . . 10.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -114.04 96.67 5.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.518 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -110.74 114.03 27.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.887 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -130.35 115.91 17.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 10.0 111.179 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.415 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.7 mp -111.14 100.5 9.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.081 -0.508 . . . . 10.0 109.723 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 t -110.22 116.33 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.325 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -121.92 142.76 49.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.765 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.83 116.47 27.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.862 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.82 77.71 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.509 . . . . 10.0 110.495 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.0 133.21 53.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.142 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 2.3 t0 -137.3 143.11 41.95 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.762 -0.459 . . . . 10.0 109.762 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 28.4 m -106.52 8.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.236 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.21 0.97 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.506 -0.854 . . . . 10.0 111.56 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -107.77 98.48 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.938 0.399 . . . . 10.0 110.191 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.911 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -75.7 72.09 2.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.524 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' O' ' 28' ' ' LYS . 13.8 mmmm -63.33 -52.14 63.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.03 0.443 . . . . 10.0 110.498 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 82.49 147.21 6.48 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.542 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.62 -161.58 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' G' ' 40' ' ' VAL . 1.7 tt -114.44 120.2 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.054 0.454 . . . . 10.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.48 126.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.83 115.05 3.6 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.161 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.21 85.31 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.793 0.33 . . . . 10.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.876 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 0.0 OUTLIER -100.49 96.45 7.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.92 106.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 10.0 111.177 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.426 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -124.12 169.95 16.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.008 -0.615 . . . . 10.0 111.576 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.15 159.42 29.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' O' ' 39' ' ' VAL . 19.4 m -126.83 133.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 10.0 110.604 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' O' ' 40' ' ' VAL . 90.4 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.316 0.579 . . . . 10.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.45 100.58 12.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.182 -0.917 . . . . 10.0 108.791 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -89.4 98.44 11.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 36.5 tt0 -118.22 117.53 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.479 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.72 111.35 14.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.039 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -111.08 108.96 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -124.46 134.36 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.451 0.643 . . . . 10.0 112.614 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.78 108.21 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.633 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.53 114.41 26.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.93 112.7 19.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.328 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 76.2 mm-40 -82.35 151.68 26.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.959 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.91 102.67 5.72 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.365 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 17.1 t -125.05 -27.15 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 10.0 110.59 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.14 -150.51 15.34 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.829 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -68.01 126.06 28.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.768 0.284 . . . . 10.0 110.266 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.19 157.1 32.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.396 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 2.0 mttm -165.54 -153.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.284 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.17 136.58 7.35 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.151 -1.023 . . . . 10.0 113.212 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -94.61 153.43 17.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 10.0 110.426 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 mm -100.24 86.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.677 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB ' ' B' ' 32' ' ' ILE . 9.6 pt -113.22 129.63 68.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 10.0 112.079 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.99 121.0 4.15 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.489 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' B' ' 34' ' ' LEU . 43.4 mt -102.5 110.46 22.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.633 0.254 . . . . 10.0 111.061 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -119.7 24.01 10.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.315 0.579 . . . . 10.0 109.65 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' B' ' 36' ' ' VAL . 9.7 t -69.93 126.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.262 -0.881 . . . . 10.0 110.548 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -163.38 147.85 13.86 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.276 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 139.74 9.64 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.659 HG13 HG23 ' B' ' 39' ' ' VAL . 5.4 p -136.73 126.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.529 . . . . 10.0 110.977 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.221 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 121.342 0.591 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.11 90.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.483 -0.932 . . . . 10.0 108.483 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.517 ' HA ' ' HB3' ' C' ' 13' ' ' HIS . 48.7 t-80 -74.2 107.51 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.877 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.68 95.12 5.68 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 5.0 tt0 -113.55 102.23 10.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.341 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 17.0 ptmt -114.97 121.23 42.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.277 0.56 . . . . 10.0 111.503 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.655 HD13 ' HG ' ' A' ' 17' ' ' LEU . 3.5 mp -114.48 108.25 16.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.077 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.457 HG13 HG23 ' A' ' 18' ' ' VAL . 5.1 t -115.83 118.93 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.697 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.33 124.46 50.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.284 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -110.47 120.18 41.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 99.96 5.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.815 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 44.6 mt-10 -101.23 86.07 2.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.861 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' C' ' 23' ' ' ASP . 1.5 m-20 -78.98 89.29 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.949 0.404 . . . . 10.0 110.606 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 26.0 t -91.54 -15.93 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.32 -60.35 0.86 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.504 -0.855 . . . . 10.0 111.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -167.52 120.44 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.59 -0.305 . . . . 10.0 110.422 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.457 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 8.6 m120 -65.28 150.0 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.68 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 4.3 tppt? -141.24 -91.96 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.16 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 169.9 99.84 0.13 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.795 -1.193 . . . . 10.0 113.017 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.46 149.47 21.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.885 HD12 HG22 ' J' ' 39' ' ' VAL . 1.0 OUTLIER -99.26 121.01 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.62 0.724 . . . . 10.0 110.426 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.727 ' HB ' HG22 ' A' ' 32' ' ' ILE . 53.5 mt -130.73 122.36 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.047 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.04 122.06 5.43 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.927 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' A' ' 34' ' ' LEU . 3.4 mm? -104.18 85.71 2.43 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.14 45.27 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.683 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.693 ' HB ' HG13 ' A' ' 36' ' ' VAL . 8.2 t -83.42 104.63 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.368 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -127.83 134.07 8.08 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.781 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.06 130.53 6.28 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.571 -0.612 . . . . 10.0 111.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.991 HG22 HD11 ' J' ' 31' ' ' ILE . 1.9 p -128.01 133.62 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.065 0.459 . . . . 10.0 111.083 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.626 HG22 ' HB ' ' C' ' 40' ' ' VAL . 93.6 t -134.69 135.48 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.137 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.886 ' HB ' HG21 ' J' ' 31' ' ' ILE . 13.6 tt -64.72 118.85 7.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.105 0.479 . . . . 10.0 111.357 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.939 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.01 0.434 . . . . 10.0 111.209 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -95.62 108.54 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' HIS . . . . . 0.517 ' HB3' ' HA ' ' B' ' 13' ' ' HIS . 21.7 t60 -80.45 94.02 6.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -89.27 100.11 12.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.027 0.441 . . . . 10.0 112.008 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -116.07 104.75 11.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.418 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -113.24 121.46 44.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.719 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.0 109.07 15.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 9.1 p -131.95 128.77 60.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.629 0.728 . . . . 10.0 112.382 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.61 126.79 47.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.992 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.41 111.33 23.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.51 107.05 14.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -106.34 121.34 44.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.42 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 23' ' ' ASP . 1.6 t0 -108.78 120.46 42.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.19 10.43 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.947 0.403 . . . . 10.0 110.076 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.529 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -135.56 -65.12 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.514 -0.85 . . . . 10.0 113.02 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 92.34 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.596 0.198 . . . . 10.0 110.645 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 63.1 t30 -62.56 145.58 54.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 79.4 tttt -125.48 -102.67 0.36 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.6 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.84 109.54 0.38 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.548 -1.311 . . . . 10.0 113.573 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.44 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.809 HD12 HG22 ' K' ' 39' ' ' VAL . 1.4 pt -108.62 119.67 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.501 0.667 . . . . 10.0 111.203 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.28 102.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.776 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.53 106.18 2.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.653 -0.785 . . . . 10.0 111.555 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 5.5 mp -96.06 80.39 3.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.082 0.468 . . . . 10.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.831 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.6 mpp? -91.13 63.12 4.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.867 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 41.3 t -95.74 126.58 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.497 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.975 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -143.67 164.16 27.46 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.172 -1.013 . . . . 10.0 112.95 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.72 147.36 17.79 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.493 -0.643 . . . . 10.0 111.493 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.951 HG21 ' HA3' ' K' ' 33' ' ' GLY . 2.2 t -136.63 127.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 10.0 110.773 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG22 ' B' ' 40' ' ' VAL . 53.6 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.047 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.675 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 35.1 mt-10 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 111.36 0.133 . . . . 10.0 111.36 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.0 p -141.01 164.0 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.471 -0.492 . . . . 10.0 111.944 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 13' ' ' HIS . . . . . 0.421 ' H ' HG22 ' D' ' 12' ' ' VAL . 6.3 t60 -88.79 129.7 35.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.866 0.365 . . . . 10.0 111.727 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.47 87.86 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.79 130.06 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 10.0 111.793 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -130.65 121.94 26.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.26 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.66 110.59 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.472 -0.785 . . . . 10.0 109.71 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.731 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.8 t -120.17 114.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.372 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -116.53 127.41 54.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.9 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.08 122.07 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.64 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.29 97.32 5.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.0 94.99 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.31 94.4 8.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 41.3 t -87.79 -28.16 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -90.82 -103.17 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.346 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -121.84 110.46 15.91 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -66.32 150.69 48.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.869 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 34.2 tttm -139.9 -51.42 0.5 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.795 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.27 125.97 3.02 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.139 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.58 165.42 11.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 1.008 HD11 HG23 ' E' ' 31' ' ' ILE . 9.4 pt -106.28 113.22 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.657 0.741 . . . . 10.0 110.948 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.484 HG12 HD12 ' E' ' 32' ' ' ILE . 23.2 mt -116.63 112.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.158 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.778 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -107.46 112.56 3.73 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.757 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -101.73 80.13 2.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.6 mpp? -97.45 81.75 3.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 10.0 110.531 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' C' ' 36' ' ' VAL . 25.4 t -108.71 116.38 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.534 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 1.093 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -134.62 124.6 3.52 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.1 -1.048 . . . . 10.0 112.931 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.08 132.13 6.7 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.428 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 1.082 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.4 m -133.4 149.98 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.765 0.316 . . . . 10.0 111.198 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.688 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.4 p -147.25 143.67 19.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.817 0.341 . . . . 10.0 111.127 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.92 127.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.73 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.351 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.743 ' HA ' HG22 ' F' ' 12' ' ' VAL . 1.9 mp0 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.654 0.74 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.425 HG12 ' H ' ' D' ' 12' ' ' VAL . 26.8 m -90.16 158.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.961 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -96.2 101.4 13.04 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.293 -1.002 . . . . 10.0 108.293 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.51 106.19 18.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.177 0.513 . . . . 10.0 111.128 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -116.11 107.16 14.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.989 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -114.99 116.57 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.341 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.36 112.67 23.43 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.9 OUTLIER -127.03 124.69 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.361 0.601 . . . . 10.0 112.374 -179.029 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -123.18 123.54 41.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.568 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -109.18 107.34 17.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.572 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 112.35 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.31 119.46 22.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.868 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.502 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 3.1 t70 -115.89 132.52 56.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 10.0 110.197 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.696 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -119.86 32.78 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.374 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.2 -74.19 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.68 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -151.91 115.86 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.475 -0.426 . . . . 10.0 110.523 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -84.39 144.66 28.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.869 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 10.4 mttm -125.89 -54.39 1.52 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.873 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.422 ' O ' ' HA3' ' F' ' 29' ' ' GLY . . . 134.09 119.32 1.96 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.026 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -93.28 161.79 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.112 0.165 . . . . 10.0 110.653 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 1.008 HG23 HD11 ' D' ' 31' ' ' ILE . 7.3 mt -106.43 86.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.484 HD12 HG12 ' D' ' 32' ' ' ILE . 5.4 mt -100.15 111.02 28.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.275 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.427 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -116.83 99.67 0.86 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 10.0 113.266 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -92.91 90.98 7.2 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.51 75.14 1.0 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.408 0.623 . . . . 10.0 110.552 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.9 m -103.52 140.56 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.871 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -144.17 157.76 27.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.145 -1.026 . . . . 10.0 112.71 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.24 131.26 4.0 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.201 -0.76 . . . . 10.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 1.029 HG21 ' HA3' ' M' ' 33' ' ' GLY . 54.3 t -130.33 121.87 52.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 10.0 111.898 -179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG23 ' D' ' 40' ' ' VAL . 86.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.76 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.968 ' HB ' HG12 ' G' ' 12' ' ' VAL . 2.8 t -113.84 108.95 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 125.1 31.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.454 0.538 . . . . 10.0 112.454 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -126.1 94.55 4.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.146 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.8 tt0 -111.65 124.98 53.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.488 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -133.49 128.29 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.197 0.523 . . . . 10.0 111.863 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 8.0 mp -115.56 114.12 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.342 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' G' ' 18' ' ' VAL . 29.9 t -117.08 113.94 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.347 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.96 124.08 47.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.621 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.57 129.9 54.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.608 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.23 86.55 2.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -98.39 100.24 11.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.448 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.823 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 9.8 m-20 -100.44 101.93 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.02 0.438 . . . . 10.0 110.881 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' G' ' 24' ' ' VAL . 7.6 m -94.15 0.54 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 10.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.48 -63.76 0.38 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.829 -0.7 . . . . 10.0 111.731 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.7 p 176.64 118.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 1.047 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 25.4 p30 -82.11 140.92 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.0 OUTLIER -105.38 -30.28 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.13 -0.941 . . . . 10.0 108.809 178.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 114.61 114.09 3.02 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.891 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.494 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -97.87 150.7 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.643 ' HB ' HD12 ' E' ' 31' ' ' ILE 0.259 12.0 tt -101.46 109.04 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.769 0.795 . . . . 10.0 112.183 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.521 HG12 HD12 ' G' ' 32' ' ' ILE . 29.6 mt -113.15 116.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.757 -1.11 . . . . 10.0 109.974 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.21 111.98 3.47 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.595 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.4 mm? -96.19 74.44 2.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.488 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.4 mpt? -88.65 69.55 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.035 0.445 . . . . 10.0 110.106 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' E' ' 36' ' ' VAL . 42.4 t -100.77 119.65 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.007 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.422 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.33 148.87 18.44 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.811 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -140.42 144.76 15.28 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.43 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 1.027 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.1 t -144.44 141.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 122.155 0.182 . . . . 10.0 111.208 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.527 HG23 HG13 ' G' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.968 HG12 ' HB ' ' F' ' 12' ' ' VAL . 14.2 m . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.456 0.646 . . . . 10.0 112.699 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -88.66 108.85 19.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.591 -1.263 . . . . 10.0 107.591 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -96.67 124.47 40.67 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.177 -0.465 . . . . 10.0 112.029 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HG3' ' F' ' 15' ' ' GLN . 2.1 tp60 -128.57 97.96 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -111.72 119.07 37.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.835 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.516 HD13 HD23 ' G' ' 34' ' ' LEU . 47.9 mt -117.76 106.08 12.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.3 m -119.95 123.44 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.422 0.629 . . . . 10.0 112.339 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' H' ' 19' ' ' PHE . 31.5 m-85 -124.93 121.22 33.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.411 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.4 109.77 21.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 10.0 111.618 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.69 115.99 27.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.841 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -117.92 134.83 54.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.194 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.823 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.0 OUTLIER -108.45 143.11 37.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.513 ' HA ' HG22 ' F' ' 24' ' ' VAL . 77.4 t -129.58 -34.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.858 0.361 . . . . 10.0 110.713 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -109.97 -67.05 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.343 -0.932 . . . . 10.0 112.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 21.2 m -153.12 112.38 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.615 0.245 . . . . 10.0 110.658 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 1.047 ' HB3' ' HA ' ' F' ' 27' ' ' ASN . 18.6 t-20 -65.35 144.17 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.605 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -121.43 -54.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.661 0.267 . . . . 10.0 110.337 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.494 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 120.95 114.58 2.37 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.056 -1.068 . . . . 10.0 112.864 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.865 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -91.37 170.3 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.521 0.201 . . . . 10.0 111.183 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.516 HG13 ' HA ' ' H' ' 31' ' ' ILE . 0.4 OUTLIER -107.03 90.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 179.09 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.619 HG12 HD12 ' H' ' 32' ' ' ILE . 7.3 mt -101.81 104.22 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.291 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.63 105.33 2.01 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.668 -0.777 . . . . 10.0 111.961 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.714 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 6.5 mp -93.7 74.28 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.921 0.391 . . . . 10.0 110.743 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.447 ' O ' ' HE3' ' H' ' 35' ' ' MET . 2.2 ptp -81.5 76.36 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.123 0.963 . . . . 10.0 109.685 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.456 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 40.9 t -94.3 111.26 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.592 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.74 123.04 5.68 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.521 -0.847 . . . . 10.0 111.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -133.61 112.77 1.12 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.514 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 1.027 HG12 ' HB ' ' F' ' 39' ' ' VAL . 27.0 m -127.29 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.313 0.578 . . . . 10.0 111.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' P' ' 31' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.173 -0.921 . . . . 10.0 110.625 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.556 0.217 . . . . 10.0 110.451 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.53 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -66.21 132.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.986 179.086 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -70.84 133.19 46.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -116.16 101.4 8.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.112 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.45 129.68 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.721 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -139.05 115.52 10.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.77 117.25 30.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 t -116.71 123.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.466 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' G' ' 19' ' ' PHE . 23.5 m-85 -127.25 137.92 52.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.843 0.354 . . . . 10.0 110.495 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -114.57 132.72 56.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.754 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -141.64 87.12 2.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.43 136.36 46.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' G' ' 23' ' ' ASP . 5.1 t70 -100.54 151.64 21.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.815 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -126.02 -34.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 10.0 109.947 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -132.53 -51.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.006 -0.616 . . . . 10.0 113.028 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -143.07 110.79 5.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.504 -0.409 . . . . 10.0 110.421 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.564 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -65.9 151.12 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.86 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.672 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 35.4 tttp -136.53 -178.59 5.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.603 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.865 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -101.26 92.18 1.01 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.296 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.5 139.22 40.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.589 HD11 HG23 ' P' ' 39' ' ' VAL . 9.6 tt -84.21 112.96 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.619 HD12 HG12 ' G' ' 32' ' ' ILE . 8.8 mt -126.56 107.01 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.878 0.371 . . . . 10.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.72 106.54 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 111.405 -0.678 . . . . 10.0 111.405 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.714 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.2 mm? -96.77 79.1 2.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.278 . . . . 10.0 111.152 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.447 ' HE3' ' O ' ' G' ' 35' ' ' MET . 7.2 tpt -84.95 91.81 8.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.22 0.533 . . . . 10.0 110.067 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 51.4 t -98.6 122.87 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.256 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -118.98 105.65 1.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.817 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.735 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.402 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' J' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.436 0.636 . . . . 10.0 110.236 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.93 162.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.929 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -90.54 95.27 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.901 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -87.2 86.69 7.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.181 0.515 . . . . 10.0 110.613 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -105.34 109.42 21.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.563 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -114.84 115.72 27.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.26 116.96 28.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.62 135.29 30.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -116.55 114.9 24.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.164 -0.926 . . . . 10.0 109.632 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.38 105.35 17.41 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 115.72 30.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.852 0.358 . . . . 10.0 111.131 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.93 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 72.1 mm-40 -91.35 137.56 32.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.039 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.0 113.27 23.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.713 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.58 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 6.2 t -133.43 -16.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 10.0 110.504 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.79 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.271 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -57.79 129.13 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.749 0.275 . . . . 10.0 110.588 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.41 147.42 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.519 0.199 . . . . 10.0 111.395 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.708 ' HD3' ' HG2' ' J' ' 28' ' ' LYS . 26.8 mtpt -144.72 -105.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.528 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.41 125.23 0.84 Allowed Glycine 0 CA--C 1.517 0.166 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.2 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -89.96 137.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 111.841 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 1.6 mt -86.81 93.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -111.34 126.69 68.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.381 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.2 122.53 5.64 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -109.9 100.16 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.779 0.323 . . . . 10.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -110.26 16.06 21.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.158 0.504 . . . . 10.0 110.291 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.558 HG12 ' HB ' ' J' ' 36' ' ' VAL . 6.4 m -64.36 146.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.334 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 167.95 -169.24 41.24 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.627 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.94 -179.98 47.63 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.478 -0.868 . . . . 10.0 112.251 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.653 HG13 HG23 ' J' ' 39' ' ' VAL . 7.6 p -157.37 132.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.065 0.459 . . . . 10.0 110.544 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' J' ' 40' ' ' VAL . 14.0 t -130.78 158.31 43.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 pt -57.9 142.22 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.444 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 51.4 mt-10 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.965 0.412 . . . . 10.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.536 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.4 t -96.02 108.72 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -83.08 115.04 21.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.201 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.65 92.3 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -108.13 112.01 24.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.534 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -115.14 109.08 17.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.397 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.412 ' HG ' HD12 ' K' ' 17' ' ' LEU . 4.8 mp -108.91 96.15 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' K' ' 18' ' ' VAL . 13.2 t -113.3 117.24 54.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 10.0 111.062 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.95 126.63 55.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -111.33 122.04 46.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.87 101.15 5.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.93 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 1.2 pt-20 -106.59 87.36 2.51 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.709 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -77.13 88.72 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.065 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.58 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 16.9 t -86.95 -14.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.621 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.66 -65.79 0.77 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.306 -0.949 . . . . 10.0 111.889 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 60.4 m -157.78 118.26 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 3.0 m-80 -68.71 146.45 52.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.998 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 15.7 mttp -139.95 -107.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.85 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -157.12 90.24 0.11 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.764 -1.208 . . . . 10.0 113.568 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.6 127.98 33.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.991 HD11 HG22 ' B' ' 39' ' ' VAL . 1.6 tp -92.84 104.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.629 0.728 . . . . 10.0 111.3 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.16 131.75 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.56 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.78 115.25 2.3 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.957 -0.64 . . . . 10.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' K' ' 34' ' ' LEU . 91.4 mt -108.67 99.86 9.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.691 0.282 . . . . 10.0 110.801 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.9 mmt -109.09 35.8 3.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.351 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 15.0 t -75.24 114.22 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.794 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.05 137.22 7.0 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.766 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.66 136.82 9.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 10.0 111.821 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.885 HG22 HD12 ' B' ' 31' ' ' ILE . 3.2 p -124.73 127.12 72.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.162 0.506 . . . . 10.0 110.777 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG13 ' I' ' 40' ' ' VAL . 69.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.675 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' L' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.855 0.359 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 12' ' ' VAL . . . . . 0.536 HG12 ' HB ' ' J' ' 12' ' ' VAL . 2.7 m -106.39 109.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.305 0.574 . . . . 10.0 112.383 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -77.35 103.04 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 14' ' ' HIS . . . . . 0.422 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 31.4 m170 -94.57 107.76 19.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.054 0.454 . . . . 10.0 111.41 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -121.47 101.24 7.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.372 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -110.09 124.45 51.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.325 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.412 HD12 ' HG ' ' J' ' 17' ' ' LEU . 13.4 mt -125.19 105.52 9.2 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.4 m -124.96 128.13 72.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.386 0.612 . . . . 10.0 112.251 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 60.0 m-85 -125.01 121.75 35.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.619 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.62 112.02 24.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.233 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 110.22 18.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 40.0 mt-10 -109.54 117.51 34.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.797 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.3 t70 -103.39 117.56 34.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.56 -5.76 11.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 121.323 0.582 . . . . 10.0 109.747 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.98 -76.93 0.53 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.754 -0.736 . . . . 10.0 113.013 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -158.33 95.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.262 -0.273 . . . . 10.0 110.262 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.9 t30 -63.5 147.65 50.77 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.144 0.497 . . . . 10.0 112.023 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.998 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 41.9 tttm -127.19 -64.63 0.99 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.738 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.86 110.03 0.38 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.525 -1.321 . . . . 10.0 113.791 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 153.97 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.763 ' HB ' HG23 ' J' ' 31' ' ' ILE . 9.4 tt -108.29 114.48 46.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.525 0.679 . . . . 10.0 112.7 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.475 HG12 HD12 ' L' ' 32' ' ' ILE . 39.0 mt -116.14 112.2 38.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 10.0 109.114 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 33' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -113.96 113.36 3.05 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.387 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.704 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.79 89.23 4.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.107 0.48 . . . . 10.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.975 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.1 mpp? -94.97 57.47 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.515 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 25.8 t -93.54 126.77 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.093 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 37' ' ' GLY . . . . . 0.831 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -149.55 172.69 29.5 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.161 -1.019 . . . . 10.0 112.42 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.54 151.05 19.94 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.819 -0.705 . . . . 10.0 111.741 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.809 HG22 HD12 ' C' ' 31' ' ' ILE . 7.6 p -135.35 126.9 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 110.385 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' L' ' 40' ' ' VAL . 17.5 t -124.37 134.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.698 ' HA ' HG21 ' C' ' 31' ' ' ILE . 19.0 tt -64.88 139.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 10.0 110.973 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.746 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.71 ' H ' HG12 ' M' ' 12' ' ' VAL . 2.0 p -134.15 176.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 13' ' ' HIS . . . . . 0.707 ' H ' HG22 ' L' ' 12' ' ' VAL . 28.9 t60 -103.81 131.76 50.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.356 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 14' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 42.2 m-70 -124.37 97.58 5.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -114.08 120.27 40.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.107 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -127.94 118.85 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.555 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' K' ' 17' ' ' LEU . 8.4 mp -114.4 114.95 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.557 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.2 t -124.08 114.38 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.949 0.404 . . . . 10.0 110.369 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.438 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 17.9 m-85 -118.21 126.24 51.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.994 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.2 126.43 52.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.49 94.08 3.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -98.79 90.32 4.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.582 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.504 ' HB3' ' OD1' ' L' ' 27' ' ' ASN . 0.8 OUTLIER -89.37 84.5 6.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.308 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 48.1 t -75.93 -31.31 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.197 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.14 -138.66 9.68 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.272 -0.966 . . . . 10.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 121.98 27.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 2.5 m-20 -81.19 151.83 28.0 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.634 ' HA ' ' HD3' ' K' ' 28' ' ' LYS . 14.4 tttm -138.52 -52.48 0.59 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.722 0.296 . . . . 10.0 110.381 177.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.52 117.87 2.11 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.087 -1.054 . . . . 10.0 114.31 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.57 162.57 12.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 1.082 HD11 ' HB ' ' D' ' 39' ' ' VAL . 1.5 tt -112.26 121.65 65.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.478 0.656 . . . . 10.0 112.716 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.525 HG12 HD11 ' M' ' 32' ' ' ILE . 22.4 mt -113.99 116.14 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.747 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.86 108.4 2.73 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.118 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.704 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.3 mm? -98.75 85.15 3.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 35' ' ' MET . . . . . 1.093 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.1 mpp? -100.98 85.54 2.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.376 0.608 . . . . 10.0 110.649 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.582 ' HB ' HG13 ' K' ' 36' ' ' VAL . 12.3 t -115.41 127.82 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.022 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -148.59 128.2 2.75 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.036 -1.078 . . . . 10.0 113.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.09 140.0 11.48 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 10.0 111.6 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 1.03 HG13 HG12 ' M' ' 39' ' ' VAL . 0.9 OUTLIER -131.78 139.93 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 10.0 112.007 -179.422 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' K' ' 40' ' ' VAL . 55.0 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.304 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.394 0.616 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' M' M ' 12' ' ' VAL . . . . . 0.71 HG12 ' H ' ' L' ' 12' ' ' VAL . 22.0 m -119.88 150.65 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.889 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -84.78 104.86 15.11 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.82 107.86 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.658 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -115.74 103.14 10.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -109.35 117.26 33.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -116.31 109.84 17.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.217 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.6 m -124.86 124.23 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 16.7 m-85 -122.19 125.49 46.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.589 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.99 114.52 27.9 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.82 116.21 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -126.07 116.4 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.351 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -114.84 125.82 54.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.653 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -114.46 15.85 8.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.427 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -137.97 -70.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.262 -0.97 . . . . 10.0 113.399 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.0 m -157.35 98.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.59 -0.359 . . . . 10.0 110.853 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -72.99 133.66 44.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 5.5 tttp -107.39 -76.95 0.6 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.347 . . . . 10.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.65 85.52 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.482 -1.342 . . . . 10.0 114.027 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -83.77 137.23 33.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.415 -0.957 . . . . 10.0 108.415 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.944 HD11 HG23 ' D' ' 39' ' ' VAL . 14.1 tt -101.9 114.48 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.677 0.751 . . . . 10.0 112.727 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.879 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.9 pt -110.86 121.89 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.906 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 1.029 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -116.12 117.25 3.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.943 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.722 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.5 mp -104.1 91.05 3.78 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.063 0.458 . . . . 10.0 109.79 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 7.4 mtm -101.92 93.2 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.513 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 1.3 p -127.16 130.07 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.21 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 37' ' ' GLY . . . . . 0.442 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -150.07 171.72 30.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.615 -0.802 . . . . 10.0 112.168 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.06 145.33 7.81 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.626 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 1.03 HG12 HG13 ' L' ' 39' ' ' VAL . 18.3 m -131.6 138.63 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.538 0.209 . . . . 10.0 110.615 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.974 HG12 ' HB ' ' N' ' 40' ' ' VAL . 30.5 m -146.78 174.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.458 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' M' ' 41' ' ' ILE . 1.0 OUTLIER -143.39 137.39 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.014 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.49 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.17 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 11' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' O' ' 11' ' ' GLU . 12.3 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.158 0.504 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.421 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.6 OUTLIER -71.1 139.96 19.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.408 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 132.21 44.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -122.31 95.79 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.379 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -98.22 128.95 44.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' N' ' 16' ' ' LYS . 12.7 ttmt -129.86 94.5 3.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.841 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.2 mp -100.34 112.56 24.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.562 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 23.2 t -119.77 113.87 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.441 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 19' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 56.8 m-85 -119.96 117.97 29.47 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.842 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.17 130.35 55.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.988 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.03 98.79 3.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.05 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -105.75 105.41 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.568 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.604 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 15.3 m-20 -98.45 103.61 15.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.425 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 62.5 t -82.99 -23.53 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.217 0.532 . . . . 10.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 25' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -101.3 -69.71 0.87 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.432 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -178.2 130.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.604 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.1 p30 -95.43 149.35 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 10.0 111.003 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.623 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 18.6 tttp -106.25 -83.96 0.52 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.537 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -162.57 77.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.144 -1.027 . . . . 10.0 113.037 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.78 135.35 35.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.855 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -106.19 113.96 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.899 0.857 . . . . 10.0 112.362 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.879 ' HB ' HG22 ' M' ' 32' ' ' ILE . 69.9 mt -106.11 103.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.183 -1.044 . . . . 10.0 108.183 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.712 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -99.95 117.0 5.74 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.384 -0.913 . . . . 10.0 112.801 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.722 HD12 ' HG ' ' M' ' 34' ' ' LEU . 81.6 mt -111.78 107.73 16.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' O' ' 35' ' ' MET . 4.8 mtm -122.88 98.59 5.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.8 p -128.85 127.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.438 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.488 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -144.63 130.11 3.81 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.705 -0.759 . . . . 10.0 111.902 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.38 153.79 18.24 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.079 -0.808 . . . . 10.0 111.079 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.75 HG12 HG22 ' M' ' 39' ' ' VAL . 10.6 m -137.23 127.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.108 0.454 . . . . 10.0 111.629 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.974 ' HB ' HG12 ' M' ' 40' ' ' VAL . 43.0 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.965 0.412 . . . . 10.0 111.003 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 11' ' ' GLU . . . . . 0.599 ' O ' ' HA ' ' N' ' 11' ' ' GLU . 34.5 mt-10 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.159 0.504 . . . . 10.0 110.261 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -81.77 -179.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.63 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -120.91 104.12 9.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -92.35 110.63 22.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.879 0.371 . . . . 10.0 111.136 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.21 102.65 11.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.663 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 16' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' O' ' 16' ' ' LYS . 1.3 mtpp -102.45 98.65 8.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.001 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.508 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.4 mm? -103.53 110.88 23.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.2 p -136.32 124.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.577 0.703 . . . . 10.0 112.657 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.71 124.27 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.21 -0.905 . . . . 10.0 109.736 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.92 107.05 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.987 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.11 128.38 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.887 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.46 129.0 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 23' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 0.6 OUTLIER -116.6 144.43 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.068 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.531 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.6 t -135.42 11.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.26 0.552 . . . . 10.0 109.547 178.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.18 -74.62 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.179 -1.01 . . . . 10.0 113.278 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -146.76 101.26 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.95 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 41.1 t30 -88.15 96.91 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 5.0 tmtt? -67.06 -49.64 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.94 122.5 3.33 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.097 -1.049 . . . . 10.0 113.705 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.469 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -96.85 166.29 11.7 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.519 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -109.99 117.52 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.488 0.661 . . . . 10.0 109.546 178.098 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.701 HD11 HG12 ' N' ' 32' ' ' ILE . 4.9 pt -119.57 113.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.469 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -106.09 109.31 3.13 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' P' ' 34' ' ' LEU . 6.5 mp -102.0 102.48 13.0 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.667 ' HE3' ' HG3' ' P' ' 35' ' ' MET . 0.0 OUTLIER -119.98 102.43 8.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.187 0.518 . . . . 10.0 110.82 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.736 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.5 m -126.27 146.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.408 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.67 179.65 40.43 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.015 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.39 165.82 33.67 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.995 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.84 HG22 ' HB ' ' P' ' 39' ' ' VAL . 4.1 m -121.69 149.26 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.75 ' HB ' HG22 ' N' ' 40' ' ' VAL . 13.8 t . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 120.787 0.327 . . . . 10.0 111.742 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.5 t60 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.701 0.286 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -118.74 106.6 12.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 10.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.76 107.89 18.86 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -111.59 117.09 32.0 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.72 96.22 5.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.454 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -110.93 118.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.419 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -121.06 145.68 47.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.1 123.12 41.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.958 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.35 70.78 1.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.246 0.546 . . . . 10.0 109.754 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -101.82 134.37 45.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.601 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' P' ' 27' ' ' ASN . 4.0 t0 -147.15 136.64 22.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.899 0.38 . . . . 10.0 110.427 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 m -103.67 -0.66 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.161 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.71 -115.09 2.62 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.249 -0.977 . . . . 10.0 111.959 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -101.62 97.12 7.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.95 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -66.34 101.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.82 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -78.48 -79.63 0.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.25 0.548 . . . . 10.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 104.35 120.42 4.76 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 115.472 -0.785 . . . . 10.0 112.778 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' G' ' 40' ' ' VAL . 0.5 OUTLIER -122.54 121.19 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.1 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.66 120.56 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.226 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.18 116.5 5.28 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.454 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' O' ' 34' ' ' LEU . 2.1 mm? -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.838 0.352 . . . . 10.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HE3' ' O' ' 35' ' ' MET . 2.8 mpt? -99.23 103.24 15.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.5 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.736 ' HB ' HG12 ' O' ' 36' ' ' VAL . 28.3 t -127.97 112.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.595 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.9 137.39 13.94 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.843 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.47 105.75 0.53 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.156 -0.545 . . . . 10.0 111.875 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.84 ' HB ' HG22 ' O' ' 39' ' ' VAL . 32.7 m -111.39 154.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.662 0.245 . . . . 10.0 111.662 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.601 179.502 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB3' HG22 ' B' ' 12' ' ' VAL . 1.4 mm-40 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.74 155.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.687 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -85.92 96.81 9.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 33.3 m170 -91.02 90.14 7.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.325 0.583 . . . . 10.0 110.565 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -106.27 121.42 44.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.373 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.15 127.02 47.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.311 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.77 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -123.79 117.01 23.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.428 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.92 136.07 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.11 104.67 9.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.054 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.65 103.34 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.96 121.82 44.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.727 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 74.5 mm-40 -88.03 148.61 24.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.437 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -121.29 103.96 9.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 12.7 t -135.36 -24.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.092 0.472 . . . . 10.0 110.583 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -113.49 -155.65 11.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.847 -0.692 . . . . 10.0 112.227 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 5.0 p -73.53 120.7 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.658 -0.319 . . . . 10.0 110.69 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -62.26 153.65 30.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.557 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 12.9 tptm -150.27 -92.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.478 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 157.92 126.34 0.88 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.638 -0.792 . . . . 10.0 112.78 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.51 163.94 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 10.0 110.872 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 mm -112.34 89.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB ' ' B' ' 32' ' ' ILE . 34.6 pt -110.99 135.08 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.233 0.54 . . . . 10.0 112.421 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.12 119.07 3.62 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 34' ' ' LEU . 27.4 mt -104.79 100.87 10.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -114.87 23.47 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.563 HG13 ' HB ' ' B' ' 36' ' ' VAL . 4.6 t -68.24 114.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.51 155.93 26.76 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.834 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -150.47 147.07 16.79 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.646 HG13 HG23 ' B' ' 39' ' ' VAL . 3.6 p -151.69 124.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.969 0.414 . . . . 10.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.493 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.164 0.506 . . . . 10.0 110.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.745 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -94.55 97.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 179.374 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -72.93 110.88 7.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.707 0.289 . . . . 10.0 110.519 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 22.9 m170 -111.58 89.5 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 10.0 110.125 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -110.71 111.09 22.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.704 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -121.64 116.96 25.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.318 0.58 . . . . 10.0 111.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.77 HD13 ' HG ' ' A' ' 17' ' ' LEU . 2.1 mp -109.07 110.73 22.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.054 -0.975 . . . . 10.0 109.052 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 t -116.98 120.92 66.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.763 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -116.38 125.32 51.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.451 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.57 125.39 53.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.78 99.77 4.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.727 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 22.0 mt-10 -95.99 85.37 4.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.625 -0.261 . . . . 10.0 111.586 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -78.23 79.91 4.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.066 0.46 . . . . 10.0 110.075 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.689 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 21.9 t -87.01 -15.0 9.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.49 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.05 -69.46 0.86 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.291 -0.957 . . . . 10.0 112.178 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 46.9 m -157.09 114.64 3.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.481 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 4.4 m120 -61.75 152.76 30.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.318 0.58 . . . . 10.0 111.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 7.3 tttp -148.71 -113.82 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.426 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.48 ' H ' ' HB3' ' B' ' 28' ' ' LYS . . . -170.65 107.23 0.26 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.493 -1.337 . . . . 10.0 113.578 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 151.79 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.935 HD12 HG22 ' J' ' 39' ' ' VAL . 0.9 OUTLIER -97.07 125.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.464 0.65 . . . . 10.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 32' ' ' ILE . 55.4 mt -131.39 115.46 28.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.738 -0.665 . . . . 10.0 109.689 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -112.28 115.24 3.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.353 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.484 HD13 HD13 ' C' ' 34' ' ' LEU . 3.3 mm? -97.74 90.27 4.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.84 37.2 2.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 10.0 110.881 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 18.3 t -76.2 104.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.93 130.45 6.92 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.645 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -126.91 130.42 6.91 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.374 -0.691 . . . . 10.0 111.374 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 1.007 HG22 HD11 ' J' ' 31' ' ' ILE . 2.6 p -127.04 136.35 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.413 . . . . 10.0 111.275 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.648 HG22 ' HB ' ' C' ' 40' ' ' VAL . 72.6 t -135.11 139.8 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.985 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 1.005 HG12 HG21 ' J' ' 31' ' ' ILE . 11.0 mt -58.01 129.72 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.103 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.605 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.521 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.118 0.485 . . . . 10.0 111.194 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.745 HG12 ' HB ' ' B' ' 12' ' ' VAL . 5.7 m -104.38 125.61 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -86.23 89.56 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.409 ' HD2' ' HB2' ' B' ' 14' ' ' HIS . 7.6 m170 -80.23 101.47 8.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.335 0.588 . . . . 10.0 112.216 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -115.43 93.54 4.33 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 88.8 tttt -104.83 119.65 39.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 10.0 111.815 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -120.41 112.46 19.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.41 HG13 HG13 ' D' ' 18' ' ' VAL . 8.4 p -134.23 130.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.503 0.668 . . . . 10.0 112.418 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -123.45 127.53 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.872 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.18 109.35 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.897 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.56 109.72 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -110.65 116.26 31.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.911 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.9 OUTLIER -102.21 120.62 40.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.287 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.28 7.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.46 0.648 . . . . 10.0 109.406 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -132.53 -68.88 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.566 -0.826 . . . . 10.0 113.09 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -163.14 94.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 58.1 t30 -63.29 142.31 58.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.906 0.384 . . . . 10.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -123.27 -82.23 0.65 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.586 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.9 106.73 0.19 Allowed Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.934 -1.127 . . . . 10.0 113.693 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -93.77 172.69 8.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -112.93 119.19 59.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.567 0.698 . . . . 10.0 111.531 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.65 100.1 8.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.354 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.67 103.22 2.2 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.251 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' D' ' 34' ' ' LEU . 5.5 mp -93.96 81.43 4.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.187 0.518 . . . . 10.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.66 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 5.0 mpp? -93.14 50.78 1.57 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.883 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.8 t -86.98 123.36 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.774 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.833 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -137.59 168.51 24.43 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.275 -0.964 . . . . 10.0 112.841 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.03 147.77 17.94 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.881 HG21 ' HA3' ' K' ' 33' ' ' GLY . 0.9 OUTLIER -139.14 129.79 33.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.74 0.305 . . . . 10.0 111.154 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' B' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.704 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.914 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 75.3 mt-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' C' ' 11' ' ' GLU . 4.1 p -169.84 154.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.469 0.176 . . . . 10.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.42 132.52 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.015 0.436 . . . . 10.0 111.645 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -131.14 84.75 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 18.8 pt20 -108.82 140.48 42.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 10.0 111.642 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 30.3 ttpt -140.6 122.23 15.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.039 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.25 112.49 23.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.507 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.5 t -119.75 115.68 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.307 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -115.88 125.44 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -106.61 125.47 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.616 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.3 99.94 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.888 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -104.2 96.85 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.602 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.78 92.03 8.21 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.462 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 92.1 t -86.85 -24.96 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 10.0 111.784 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.487 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -93.06 -81.47 1.49 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.339 -0.934 . . . . 10.0 113.427 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -151.15 113.64 4.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.7 OUTLIER -63.26 155.86 27.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.688 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 49.9 tttm -141.11 -107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.578 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . -165.46 99.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.178 -1.01 . . . . 10.0 112.86 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -100.5 153.28 19.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.825 ' HA ' HG12 ' C' ' 31' ' ' ILE 0.259 0.0 OUTLIER -97.94 127.46 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.404 0.621 . . . . 10.0 112.372 178.989 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mt -125.38 96.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 111.3 4.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.604 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.564 HD23 ' HG ' ' C' ' 34' ' ' LEU . 1.6 mm? -101.31 78.46 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.948 0.404 . . . . 10.0 109.959 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.847 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.8 mpp? -94.72 73.81 3.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.124 0.487 . . . . 10.0 110.771 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' C' ' 36' ' ' VAL . 31.7 t -102.6 122.59 55.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.642 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.968 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.11 125.89 2.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.941 -1.123 . . . . 10.0 112.911 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 133.58 7.48 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.66 -0.781 . . . . 10.0 111.648 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 1.049 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.9 m -130.23 144.6 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 10.0 112.096 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.861 HG22 ' HB ' ' E' ' 40' ' ' VAL . 11.6 t -140.94 142.27 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.116 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 tt -82.91 128.99 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.914 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.1 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.742 0.782 . . . . 10.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.499 HG12 HG12 ' D' ' 12' ' ' VAL . 18.8 m -86.53 143.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -90.91 92.78 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.47 102.68 15.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.829 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' F' ' 15' ' ' GLN . 3.9 tt0 -121.29 110.89 16.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.17 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -123.27 131.2 53.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.148 0.499 . . . . 10.0 111.305 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.627 HD22 HD23 ' E' ' 34' ' ' LEU . 3.0 mp -123.23 116.0 22.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.45 -0.796 . . . . 10.0 109.174 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -122.63 125.46 72.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.325 0.583 . . . . 10.0 111.928 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -120.65 122.14 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.668 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -106.59 104.06 13.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.096 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 108.52 19.51 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -115.52 129.47 56.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.811 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.52 142.51 50.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.286 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.8 t -138.18 19.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.19 -62.22 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.286 -0.959 . . . . 10.0 113.6 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.95 121.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.798 0.299 . . . . 10.0 110.842 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.64 164.23 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.784 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' F' ' 28' ' ' LYS . 15.0 ttmm -142.82 -102.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.978 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -162.43 100.02 0.18 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.015 -1.088 . . . . 10.0 113.624 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -83.81 154.4 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -114.87 86.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.092 0.472 . . . . 10.0 109.838 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.68 120.66 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.133 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.609 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -125.35 105.43 0.83 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.303 -0.951 . . . . 10.0 113.428 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.627 HD23 HD22 ' E' ' 17' ' ' LEU . 7.9 mp -93.79 72.19 4.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ptp -90.99 69.22 6.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 10.0 110.828 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.7 m -102.74 138.85 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.641 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.939 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -146.96 147.52 18.42 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.088 -1.053 . . . . 10.0 112.9 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.56 138.26 9.81 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 1.045 HG21 ' HA3' ' M' ' 33' ' ' GLY . 43.9 t -132.55 122.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.937 0.398 . . . . 10.0 112.017 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.861 ' HB ' HG22 ' D' ' 40' ' ' VAL . 76.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.895 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.631 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.188 0.518 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.839 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.7 t -106.92 100.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.87 125.93 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.965 0.357 . . . . 10.0 111.965 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -127.0 81.17 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.216 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 9.8 tt0 -103.68 118.24 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.372 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -134.19 130.57 37.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.294 0.569 . . . . 10.0 111.804 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.13 117.0 28.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.579 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.0 t -117.62 118.24 57.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.127 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.6 129.34 53.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.048 0.451 . . . . 10.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -109.16 126.05 52.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.96 85.36 2.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -104.65 102.07 11.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.866 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.591 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 31.2 m-20 -112.85 115.03 27.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.318 0.58 . . . . 10.0 110.137 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 29.0 m -106.34 31.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.661 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.99 -89.32 0.15 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.074 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -134.51 92.97 2.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.3 m120 -63.45 134.64 56.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.913 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.583 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 2.8 tmtt? -116.97 -53.6 2.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 117.5 120.69 3.1 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.766 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -89.71 159.86 16.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.639 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 17.8 tt -103.98 112.79 38.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.642 0.734 . . . . 10.0 110.543 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.634 HG12 HD12 ' G' ' 32' ' ' ILE . 15.4 mt -114.68 112.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.109 -0.951 . . . . 10.0 110.521 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 103.43 2.21 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.7 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.0 mm? -90.62 76.85 6.47 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.715 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 0.9 OUTLIER -89.62 68.09 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 10.0 109.895 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG12 ' E' ' 36' ' ' VAL . 26.3 t -98.94 118.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.506 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.8 149.29 18.73 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.369 -0.919 . . . . 10.0 113.187 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -139.78 143.41 13.74 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.4 -0.68 . . . . 10.0 111.4 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.861 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.4 t -144.97 143.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.286 . . . . 10.0 111.681 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.419 ' HB ' HG13 ' G' ' 40' ' ' VAL . 8.5 p -155.97 147.34 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 10.0 110.905 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.671 HG23 HG22 ' N' ' 31' ' ' ILE . 0.5 OUTLIER -82.83 126.61 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.182 179.264 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.949 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.72 ' HA ' HG11 ' H' ' 12' ' ' VAL . 4.4 mt-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.391 0.615 . . . . 10.0 110.727 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.839 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.3 m -109.42 141.2 25.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.773 . . . . 10.0 112.806 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -96.38 105.01 17.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -87.11 114.63 23.89 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.061 0.458 . . . . 10.0 111.745 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.532 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 1.4 tp60 -126.43 86.07 2.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' G' ' 16' ' ' LYS . 1.7 tmmm? -109.71 114.17 27.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.919 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 32.3 mt -116.05 115.71 26.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.6 m -128.71 125.73 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.476 0.655 . . . . 10.0 112.489 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -126.35 126.98 44.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.416 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.43 120.21 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.394 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.76 111.85 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.17 123.61 42.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.45 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.48 126.66 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 10.0 110.286 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.0 t -114.81 18.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.249 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.82 -72.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.345 -0.931 . . . . 10.0 113.412 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.46 105.78 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.712 -0.287 . . . . 10.0 110.717 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.79 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 23.3 t-20 -63.49 146.64 53.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.524 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -126.36 -42.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.858 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 105.19 114.47 3.96 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.103 -1.046 . . . . 10.0 112.571 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.744 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -87.62 168.41 13.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.341 . . . . 10.0 111.296 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.61 88.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.301 -0.999 . . . . 10.0 108.301 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.634 HD12 HG12 ' F' ' 32' ' ' ILE . 8.3 mt -99.29 104.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 10.0 111.075 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.433 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -111.25 115.98 4.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.57 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.11 76.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.881 0.372 . . . . 10.0 110.735 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.588 ' HG2' ' HA ' ' H' ' 35' ' ' MET . 0.1 OUTLIER -83.38 80.04 9.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.917 0.865 . . . . 10.0 109.834 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.483 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 39.8 t -97.13 108.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.92 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.37 127.58 7.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.268 -0.968 . . . . 10.0 111.657 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 0.506 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -141.81 116.2 1.06 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.126 -1.035 . . . . 10.0 112.847 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 1.02 ' HB ' HD11 ' O' ' 31' ' ' ILE . 33.9 m -122.89 152.76 27.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 10.0 111.625 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 2.6 p . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' H' ' 12' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' G' ' 11' ' ' GLU . 2.9 m -66.46 137.41 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.689 0.281 . . . . 10.0 110.998 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -57.32 127.97 34.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.604 0.964 . . . . 10.0 113.604 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -125.75 95.01 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.994 -1.003 . . . . 10.0 109.324 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -105.2 125.15 50.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.725 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -134.68 119.16 17.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.84 109.82 15.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.892 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.19 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.717 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -132.56 133.92 44.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 10.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.12 130.21 56.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.108 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 90.74 2.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -109.7 142.19 41.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.443 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.39 130.35 20.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.719 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.59 13.78 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.984 0.421 . . . . 10.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.62 -61.94 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.163 -1.018 . . . . 10.0 112.672 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -155.14 102.27 2.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.79 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 28.3 t-20 -51.16 140.05 17.13 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.575 0.547 . . . . 10.0 110.024 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 22.5 tttp -122.66 167.33 13.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.912 0.387 . . . . 10.0 111.029 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.744 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -87.6 75.88 2.07 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 111.285 -0.726 . . . . 10.0 111.285 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 138.25 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 10.0 110.718 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -91.22 114.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.187 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.45 114.39 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.581 ' HA3' HG11 ' P' ' 39' ' ' VAL . . . -122.36 112.47 2.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.908 -0.663 . . . . 10.0 111.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -104.18 93.18 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.693 0.282 . . . . 10.0 111.466 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.588 ' HA ' ' HG2' ' G' ' 35' ' ' MET . 8.6 tpt -88.98 90.4 8.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.126 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 61.5 t -94.15 124.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.274 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -125.35 107.06 0.94 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.198 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.68 127.09 7.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.04 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.32 130.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 9.6 p -155.55 150.74 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.598 0.237 . . . . 10.0 110.669 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 pt -80.47 145.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.754 0.311 . . . . 10.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' G' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.469 -0.777 . . . . 10.0 110.491 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' J' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.044 0.45 . . . . 10.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -118.32 149.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -80.56 92.2 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.608 ' HB2' ' HD2' ' J' ' 14' ' ' HIS . 34.5 m80 -88.96 91.08 8.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.067 0.46 . . . . 10.0 110.385 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -101.85 115.65 30.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.248 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -113.95 122.06 45.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.545 HD21 HD22 ' I' ' 34' ' ' LEU . 39.6 tp -129.14 123.64 32.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.61 135.64 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 10.0 112.381 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -113.47 110.38 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.423 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -92.89 101.05 13.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.678 0.275 . . . . 10.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.65 115.97 31.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.853 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 12.6 mm-40 -90.22 136.85 32.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.212 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.598 ' HA ' HD21 ' J' ' 27' ' ' ASN . 3.8 t0 -112.36 109.33 18.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.078 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 12.6 t -131.49 -16.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.141 0.496 . . . . 10.0 110.327 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -116.5 -138.99 6.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.034 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -91.44 114.81 27.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.91 0.355 . . . . 10.0 110.391 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -62.36 153.53 30.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.791 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 24.0 mtpp -148.68 -85.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.798 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 154.58 124.82 0.94 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.472 -0.87 . . . . 10.0 112.463 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -81.68 166.9 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 10.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.605 HD13 ' H ' ' B' ' 42' ' ' ALA . 1.2 mt -117.51 92.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.585 HG22 ' HB ' ' J' ' 32' ' ' ILE . 28.1 pt -110.27 130.32 63.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.34 106.32 1.67 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.706 -0.958 . . . . 10.0 110.706 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.545 HD22 HD21 ' I' ' 17' ' ' LEU . 22.0 mt -95.78 99.49 11.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 10.0 111.627 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.05 18.46 17.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.173 0.511 . . . . 10.0 110.236 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.728 HG12 ' HB ' ' J' ' 36' ' ' VAL . 3.0 m -65.62 128.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.551 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -168.78 -161.67 19.41 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.667 -0.778 . . . . 10.0 112.063 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.35 164.36 23.91 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.384 -0.686 . . . . 10.0 111.384 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.697 HG13 HG23 ' J' ' 39' ' ' VAL . 7.3 p -149.56 133.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 10.0 111.154 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' J' ' 40' ' ' VAL . 2.8 t -130.85 166.09 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 pt -61.62 120.57 7.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 10.0 110.708 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.059 -179.592 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.563 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 43.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.855 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.5 t -105.61 94.76 3.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -69.59 113.65 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.917 0.389 . . . . 10.0 111.325 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.608 ' HD2' ' HB2' ' I' ' 14' ' ' HIS . 35.7 m170 -115.63 91.97 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.305 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -106.45 119.5 39.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.375 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -118.42 107.42 13.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -107.21 98.98 8.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.801 ' HB ' HG12 ' K' ' 18' ' ' VAL . 15.7 t -113.17 117.88 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.611 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 70.0 m-85 -112.06 126.2 54.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.4 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -110.61 128.52 55.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.81 99.66 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.853 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 pt-20 -104.26 92.38 4.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.048 0.452 . . . . 10.0 111.825 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.599 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.9 OUTLIER -78.79 81.18 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.922 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.643 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 21.2 t -80.59 -16.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.863 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.05 -73.46 1.09 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.663 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 71.6 m -154.0 113.86 3.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.839 0.352 . . . . 10.0 110.407 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.598 HD21 ' HA ' ' I' ' 23' ' ' ASP . 4.9 m120 -60.22 156.04 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.275 -0.875 . . . . 10.0 111.468 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.875 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.4 OUTLIER -150.77 -102.93 0.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.012 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -174.02 96.85 0.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 119.58 -1.295 . . . . 10.0 113.824 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -79.39 147.79 32.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 1.007 HD11 HG22 ' B' ' 39' ' ' VAL . 1.5 tp -104.44 106.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.631 0.729 . . . . 10.0 111.407 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.585 ' HB ' HG22 ' I' ' 32' ' ' ILE . 13.7 mm -112.89 126.98 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.369 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.04 117.72 3.57 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.762 -0.732 . . . . 10.0 111.537 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.44 HD23 HD13 ' K' ' 34' ' ' LEU . 90.3 mt -109.52 100.64 9.67 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.693 -0.298 . . . . 10.0 110.811 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.546 ' HE1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 mmt -108.53 29.23 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 10.0 109.794 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' I' ' 36' ' ' VAL . 16.4 t -70.66 109.46 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.034 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -146.71 136.17 6.08 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.751 -0.737 . . . . 10.0 112.221 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.56 137.34 9.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.512 -0.851 . . . . 10.0 111.871 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.935 HG22 HD12 ' B' ' 31' ' ' ILE . 2.9 p -121.86 128.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 10.0 110.779 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.605 ' HB ' HG13 ' I' ' 40' ' ' VAL . 73.2 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 7.3 mm-40 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.121 0.486 . . . . 10.0 110.631 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.855 HG12 ' HB ' ' J' ' 12' ' ' VAL . 5.0 m -94.42 123.96 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -82.96 92.65 7.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.401 -1.333 . . . . 10.0 107.401 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -83.81 105.17 14.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.316 0.579 . . . . 10.0 112.202 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -120.61 98.29 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.086 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -107.42 124.65 50.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.558 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' L' ' 17' ' ' LEU . 11.9 mt -125.38 106.46 9.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.801 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.2 m -124.74 130.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.32 0.581 . . . . 10.0 112.209 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 65.7 m-85 -124.75 124.98 43.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.106 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.21 109.25 18.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.772 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.51 112.86 24.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.85 115.39 27.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.611 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 5.1 t70 -100.86 123.66 45.39 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.799 0.333 . . . . 10.0 111.003 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.75 1.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.066 0.46 . . . . 10.0 110.052 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.39 -69.36 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.341 -0.933 . . . . 10.0 113.603 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -160.73 99.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.682 0.241 . . . . 10.0 110.645 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 27' ' ' ASN . . . . . 0.679 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 54.0 t30 -70.19 148.53 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.923 0.392 . . . . 10.0 111.56 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.875 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 6.5 ttpp -126.05 -89.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.297 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . 179.89 101.53 0.15 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.917 -1.135 . . . . 10.0 113.349 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.497 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -93.8 150.09 20.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.728 ' HA ' HG23 ' J' ' 31' ' ' ILE . 4.2 tt -101.75 115.3 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.612 0.968 . . . . 10.0 113.612 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.523 HG12 HD12 ' L' ' 32' ' ' ILE . 59.4 mt -116.89 108.78 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.082 -0.963 . . . . 10.0 108.778 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 33' ' ' GLY . . . . . 0.881 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -112.73 114.91 3.58 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.811 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.658 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.75 87.5 3.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.109 0.481 . . . . 10.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.833 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.3 mpp? -93.63 55.47 2.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.615 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 33.5 t -92.61 125.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.183 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 37' ' ' GLY . . . . . 0.66 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -148.01 172.39 28.32 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.638 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.39 155.98 27.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.963 -0.637 . . . . 10.0 111.908 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' J' ' 39' ' ' VAL . 11.4 p -144.64 130.77 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.603 HG22 ' HB ' ' L' ' 40' ' ' VAL . 81.9 t -135.64 143.89 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.469 ' HA ' ' CG2' ' C' ' 31' ' ' ILE . 5.5 tp -67.86 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.924 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.596 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 11' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 45.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.305 0.098 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' K' ' 11' ' ' GLU . 1.6 p -164.39 166.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.687 -0.405 . . . . 10.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.461 ' H ' HG22 ' L' ' 12' ' ' VAL . 79.6 t60 -97.42 140.85 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.884 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -131.34 99.14 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.442 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 15' ' ' GLN . . . . . 0.403 ' HB2' ' NE2' ' L' ' 13' ' ' HIS . 38.2 tt0 -110.4 128.63 55.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.016 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -132.55 115.94 16.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.257 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.459 ' HB2' HD23 ' K' ' 17' ' ' LEU . 7.4 mp -117.36 109.02 16.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.44 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.848 ' HB ' HG12 ' M' ' 18' ' ' VAL . 11.1 t -120.16 114.84 45.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.921 0.391 . . . . 10.0 110.314 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 25.8 m-85 -116.82 122.94 45.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -106.01 125.15 50.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.727 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 94.02 3.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.533 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.98 103.3 15.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.021 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.479 ' CG ' HD22 ' M' ' 27' ' ' ASN . 0.9 OUTLIER -100.53 89.96 4.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.114 0.483 . . . . 10.0 110.961 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 60.4 t -76.28 -28.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.055 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.59 -123.13 4.78 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.32 -0.943 . . . . 10.0 112.628 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -98.73 127.46 44.67 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.679 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 1.8 m-20 -82.41 157.84 23.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' K' ' 28' ' ' LYS . 41.8 tttt -140.03 -103.66 0.16 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 10.0 111.799 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . -165.58 88.8 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.934 -1.126 . . . . 10.0 113.703 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.39 150.88 23.52 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 1.049 HD11 ' HB ' ' D' ' 39' ' ' VAL . 0.8 OUTLIER -112.43 121.45 64.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.547 HG12 HD11 ' M' ' 32' ' ' ILE . 38.2 mt -113.76 110.76 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.719 -1.128 . . . . 10.0 109.371 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -104.81 109.32 3.28 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.347 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.0 mm? -99.29 83.55 2.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.968 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.0 mpp? -98.39 80.76 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.184 0.516 . . . . 10.0 110.582 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 14.5 t -111.43 125.41 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.456 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.847 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.55 119.77 1.32 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.21 -0.995 . . . . 10.0 113.215 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.26 145.23 16.5 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.227 -0.749 . . . . 10.0 111.227 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' M' ' 39' ' ' VAL . 1.4 m -131.88 161.16 41.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.96 0.409 . . . . 10.0 111.795 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.603 ' HB ' HG22 ' K' ' 40' ' ' VAL . 48.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.901 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 11' ' ' GLU . . . . . 0.753 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 6.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.724 0.773 . . . . 10.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 19.4 m -119.33 139.47 46.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.291 -0.868 . . . . 10.0 111.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 13' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' N' ' 13' ' ' HIS . 6.0 t60 -80.99 102.3 10.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.999 -1.112 . . . . 10.0 107.999 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 100.94 12.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.312 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 15' ' ' GLN . . . . . 0.597 HE22 HG21 ' M' ' 36' ' ' VAL . 23.4 tt0 -118.58 109.38 16.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.372 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 10.0 111.569 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.825 HD22 HD23 ' M' ' 34' ' ' LEU . 4.2 mp -121.19 117.93 28.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.293 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.848 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.5 m -124.32 126.39 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.291 0.567 . . . . 10.0 111.977 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.521 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 22.0 m-85 -120.05 123.13 42.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.313 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -109.77 99.98 9.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.303 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.37 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -122.94 111.77 17.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.506 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.86 131.92 51.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.614 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.5 t -119.95 11.08 6.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.576 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.35 -69.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.177 -1.011 . . . . 10.0 113.156 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -157.15 109.84 2.49 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.64 -0.33 . . . . 10.0 110.799 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 27' ' ' ASN . . . . . 0.479 HD22 ' CG ' ' L' ' 23' ' ' ASP . 12.0 t-20 -73.06 166.71 22.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 0.0 OUTLIER -145.96 -102.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' M' ' 28' ' ' LYS . . . -150.12 78.09 0.22 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.518 -1.325 . . . . 10.0 114.31 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.37 133.65 35.23 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.874 HG23 HG12 ' N' ' 31' ' ' ILE . 8.4 tt -112.58 117.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.923 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.0 pt -115.9 123.8 71.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.085 -0.961 . . . . 10.0 110.344 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 1.045 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -114.69 117.0 3.93 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.671 -0.776 . . . . 10.0 112.406 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.825 HD23 HD22 ' M' ' 17' ' ' LEU . 7.2 mp -104.49 83.54 2.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.76 0.314 . . . . 10.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.939 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.9 mpp? -95.91 89.67 5.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.818 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.597 HG21 HE22 ' M' ' 15' ' ' GLN . 1.2 p -124.98 125.7 70.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.598 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -145.86 169.07 27.38 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.492 -0.861 . . . . 10.0 112.213 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.41 139.72 5.87 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.864 -0.684 . . . . 10.0 111.564 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' L' ' 39' ' ' VAL . 34.9 m -127.51 130.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.539 -0.171 . . . . 10.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' N' ' 40' ' ' VAL . 13.4 m -146.42 169.76 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 1.9 mm -148.16 118.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.055 . . . . 10.0 108.509 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.601 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.976 0.417 . . . . 10.0 111.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.435 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.3 OUTLIER -81.38 136.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.643 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 13' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' M' ' 13' ' ' HIS . 68.1 t60 -64.89 128.3 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.541 -0.754 . . . . 10.0 112.065 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -122.59 87.96 2.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' O' ' 15' ' ' GLN . 18.7 tt0 -99.85 127.06 46.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -130.36 113.45 14.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.089 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.464 HD22 HD13 ' N' ' 34' ' ' LEU . 5.6 mp -111.91 120.56 42.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.462 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 4.8 t -122.77 118.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.006 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 19' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 61.3 m-85 -122.26 122.16 38.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.714 0.292 . . . . 10.0 111.017 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -105.71 125.66 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.332 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 102.01 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -110.38 104.55 13.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.69 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 52.6 m-20 -100.09 93.64 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.423 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 98.3 t -75.53 -28.34 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.18 -73.09 1.07 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.46 -0.876 . . . . 10.0 112.006 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 41.9 t -177.87 132.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 15.4 p30 -93.49 157.69 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 10.0 111.208 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.698 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 22.8 tptm -115.4 -80.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.548 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.73 94.56 0.13 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.427 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -101.74 145.95 28.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.874 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -119.45 116.69 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.885 0.85 . . . . 10.0 112.496 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.923 ' HB ' HG22 ' M' ' 32' ' ' ILE . 72.1 mt -108.67 112.27 39.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.751 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -106.94 118.89 5.74 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.274 -0.965 . . . . 10.0 113.41 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.752 HD12 ' HG ' ' M' ' 34' ' ' LEU . 77.5 mt -111.33 101.84 10.28 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.55 ' O ' ' HA ' ' O' ' 35' ' ' MET . 6.4 mtm -117.18 98.16 6.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.066 0.46 . . . . 10.0 110.059 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.9 p -130.17 129.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.172 0.51 . . . . 10.0 111.317 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.74 139.18 9.17 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.802 -0.713 . . . . 10.0 111.623 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.3 151.15 20.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.735 -0.745 . . . . 10.0 111.847 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 22.6 m -134.37 136.34 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.776 0.322 . . . . 10.0 111.542 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.586 ' HB ' ' CG1' ' M' ' 40' ' ' VAL . 74.7 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.728 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 33.3 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.92 0.391 . . . . 10.0 110.802 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.56 179.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.945 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -119.41 114.55 22.49 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -99.05 102.63 14.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.005 0.431 . . . . 10.0 111.559 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 15' ' ' GLN . . . . . 0.562 ' HB3' ' HG3' ' N' ' 15' ' ' GLN . 3.3 mt-30 -112.46 99.78 8.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 40.2 mtmt -111.51 116.76 31.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.072 0.463 . . . . 10.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.19 113.82 25.17 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.3 p -129.81 122.72 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.479 0.657 . . . . 10.0 112.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.49 135.7 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.387 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -113.66 117.5 31.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 105.04 9.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -116.91 124.52 49.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.838 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 23' ' ' ASP . . . . . 0.442 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.8 t70 -108.28 141.88 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.382 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 2.8 t -125.74 8.22 4.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.839 0.352 . . . . 10.0 110.793 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 119.669 -1.253 . . . . 10.0 114.327 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.03 105.01 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.885 0.343 . . . . 10.0 111.191 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.881 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 49.8 t-20 -89.02 103.46 16.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.864 0.364 . . . . 10.0 110.727 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' P' ' 28' ' ' LYS . 1.0 OUTLIER -72.06 -47.1 54.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.354 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.427 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 117.57 124.6 3.49 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.267 -0.968 . . . . 10.0 113.251 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -108.22 176.33 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 1.02 HD11 ' HB ' ' G' ' 39' ' ' VAL . 0.3 OUTLIER -125.73 109.66 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.68 0.753 . . . . 10.0 110.683 178.472 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.489 HD11 HG12 ' N' ' 32' ' ' ILE . 5.1 pt -110.64 110.66 32.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.18 -0.918 . . . . 10.0 109.418 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.46 116.56 5.37 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.371 -0.919 . . . . 10.0 112.565 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.04 102.76 12.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.5 mtm -117.58 103.23 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.092 0.472 . . . . 10.0 110.85 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.847 HG12 ' HB ' ' P' ' 36' ' ' VAL . 4.2 m -124.72 139.38 51.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.924 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.98 147.11 18.98 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 38' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -145.14 138.32 7.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.847 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.433 HG11 ' HA3' ' G' ' 33' ' ' GLY . 1.4 m -126.72 151.62 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' P' ' 40' ' ' VAL . 7.0 p -170.05 145.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 110.913 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 30.3 mm -107.6 107.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 10.0 109.912 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.956 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 11' ' ' GLU . . . . . 0.728 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 1.1 pm0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.126 0.489 . . . . 10.0 110.787 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.28 135.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.312 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -95.59 125.53 40.25 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.731 -0.388 . . . . 10.0 110.432 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -111.09 112.43 24.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.018 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -129.5 97.05 4.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 12.3 ptmt -117.48 119.55 35.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.55 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.82 119.81 40.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.626 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -120.95 119.67 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.68 134.87 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.72 139.13 46.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.368 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.64 91.98 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 10.0 110.737 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -125.59 123.58 39.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASP . . . . . 0.607 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 7.1 t0 -125.02 130.07 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.151 0.5 . . . . 10.0 110.131 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.606 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 33.4 m -93.58 5.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.924 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.84 -78.68 0.28 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.111 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -133.76 106.46 7.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.535 0.207 . . . . 10.0 110.563 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.881 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.7 m120 -74.41 75.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' O' ' 28' ' ' LYS . 8.3 mmmm -58.83 -64.5 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.489 0.661 . . . . 10.0 109.893 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 91.12 151.35 26.51 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 115.295 -0.866 . . . . 10.0 112.089 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.35 -170.17 2.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.56 HD11 HG23 ' G' ' 39' ' ' VAL . 1.6 tt -105.6 118.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.13 0.491 . . . . 10.0 111.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.38 127.43 72.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.55 114.65 3.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.596 -0.812 . . . . 10.0 112.801 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.14 87.55 2.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA2' ' H' ' 37' ' ' GLY . 2.8 mpt? -100.77 103.85 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.77 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.847 ' HB ' HG12 ' O' ' 36' ' ' VAL . 44.9 t -126.05 121.41 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.97 134.87 8.38 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.543 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' GLY . . . . . 0.489 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -128.36 127.64 5.73 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.574 -0.611 . . . . 10.0 111.574 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.581 HG11 ' HA3' ' H' ' 33' ' ' GLY . 15.9 m -117.04 126.04 74.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.936 0.398 . . . . 10.0 111.367 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 47.3 t . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 10.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.552 ' HG3' HG22 ' B' ' 12' ' ' VAL . 20.2 mm-40 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.195 -0.298 . . . . 10.0 110.195 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -103.41 165.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -177.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.421 ' H ' HG12 ' A' ' 12' ' ' VAL . 27.9 t60 -102.2 116.8 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.561 -1.199 . . . . 10.0 107.998 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -103.37 113.28 26.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.016 0.436 . . . . 10.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.03 115.41 20.49 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.873 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -130.26 122.46 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.67 104.73 9.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -115.87 123.04 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -109.53 110.67 21.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.116 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.74 100.24 10.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -106.97 119.93 40.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.923 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 2.5 mm-40 -85.59 167.18 15.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.02 103.68 4.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.442 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.663 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.2 t -132.46 -32.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.055 0.455 . . . . 10.0 110.246 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -104.86 -159.3 23.59 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.069 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -64.01 122.29 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.385 0.274 . . . . 10.0 110.492 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.38 156.88 35.42 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 16.7 tptm -153.25 -99.03 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.564 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.18 128.53 0.96 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.978 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.5 174.31 9.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 10.0 111.788 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 mm -121.38 92.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.799 HG22 ' HB ' ' B' ' 32' ' ' ILE . 11.7 pt -117.38 126.46 74.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.226 0.536 . . . . 10.0 112.21 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.14 116.43 3.62 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.573 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' B' ' 34' ' ' LEU . 80.3 mt -99.68 99.33 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.808 0.337 . . . . 10.0 111.266 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.76 18.72 18.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.106 0.479 . . . . 10.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 43.3 t -62.86 129.02 25.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.738 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.8 166.29 34.39 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.525 -0.845 . . . . 10.0 112.265 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -165.13 151.44 20.31 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.051 -0.82 . . . . 10.0 111.051 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.804 HG13 HG23 ' B' ' 39' ' ' VAL . 3.3 p -153.53 129.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.966 0.413 . . . . 10.0 111.167 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.084 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.981 0.419 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -107.15 94.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -77.55 111.44 13.28 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.14 89.59 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.368 0.604 . . . . 10.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -106.13 105.29 15.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -122.1 121.69 37.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.251 0.548 . . . . 10.0 111.958 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.12 115.24 27.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.183 -0.917 . . . . 10.0 109.619 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' C' ' 18' ' ' VAL . 11.0 t -116.53 120.41 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.08 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CZ ' HD11 ' B' ' 34' ' ' LEU . 84.1 m-85 -118.23 121.11 39.65 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' C' ' 20' ' ' PHE . 17.3 m-85 -108.14 121.84 45.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -138.53 95.83 3.05 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 3.9 pt-20 -105.61 94.9 5.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.502 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -79.95 89.6 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.758 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.663 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.7 t -87.65 -21.24 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.46 -65.97 1.11 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.194 -1.003 . . . . 10.0 111.475 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 49.4 m -157.72 119.52 3.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.2 m120 -64.63 153.33 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.157 0.504 . . . . 10.0 110.821 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 4.9 tppt? -147.61 -110.97 0.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.628 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -170.24 104.63 0.21 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.928 -1.129 . . . . 10.0 112.973 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -82.62 148.65 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' C' ' 31' ' ' ILE . 14.3 mm -97.73 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 32' ' ' ILE . 57.8 mt -120.57 120.83 63.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.055 0.455 . . . . 10.0 111.37 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.437 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -116.89 122.81 5.59 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.764 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -109.05 91.64 3.72 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.364 -0.235 . . . . 10.0 110.364 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -105.65 41.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.227 0.537 . . . . 10.0 110.471 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 28.0 t -78.66 109.14 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.378 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.88 140.34 11.5 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.709 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -139.74 135.39 7.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.035 -0.603 . . . . 10.0 111.778 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.804 HG23 HG13 ' A' ' 39' ' ' VAL . 12.1 p -129.59 133.85 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.017 0.437 . . . . 10.0 111.46 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' C' ' 40' ' ' VAL . 67.5 t -131.25 141.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.592 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.8 HG12 HG21 ' J' ' 31' ' ' ILE . 19.5 mt -60.01 129.95 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.587 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.593 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.668 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.996 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.009 0.433 . . . . 10.0 111.276 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.518 HG12 ' HB ' ' B' ' 12' ' ' VAL . 3.8 m -98.92 113.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -83.69 93.56 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.24 102.42 14.46 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.233 0.54 . . . . 10.0 111.965 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -115.63 92.66 3.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.293 -0.867 . . . . 10.0 108.919 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.632 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 84.5 tttt -105.93 119.89 40.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.314 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.484 HD13 HD23 ' C' ' 34' ' ' LEU . 21.3 mt -119.94 111.51 18.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.434 -0.95 . . . . 10.0 108.434 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' B' ' 18' ' ' VAL . 10.4 p -131.58 130.73 62.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.597 0.713 . . . . 10.0 112.676 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' D' ' 19' ' ' PHE . 52.3 m-85 -124.72 126.61 45.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.069 -0.968 . . . . 10.0 110.031 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . 98.0 m-85 -110.08 114.82 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.896 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.78 102.93 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.088 0.47 . . . . 10.0 109.763 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.51 ' HA ' ' HG3' ' B' ' 22' ' ' GLU . 53.0 mt-10 -102.12 129.05 48.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.909 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 1.7 t70 -117.63 124.04 47.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.678 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 17.4 m -128.46 13.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.129 0.49 . . . . 10.0 109.841 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -130.25 -63.47 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.005 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.1 p -175.17 90.63 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 64.2 t30 -62.56 151.57 37.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.325 0.583 . . . . 10.0 112.43 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 71.9 tttt -132.39 -98.95 0.29 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.307 -0.86 . . . . 10.0 110.402 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -169.28 106.6 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.565 -1.302 . . . . 10.0 113.524 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.42 153.68 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.653 HD12 HG22 ' K' ' 39' ' ' VAL . 7.0 pt -102.59 118.92 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.713 0.768 . . . . 10.0 112.094 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -123.06 101.14 9.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.99 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.54 109.43 3.44 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.642 -0.789 . . . . 10.0 112.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.3 mp -97.95 79.26 2.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.1 0.476 . . . . 10.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.805 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.5 mpp? -94.64 60.49 2.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.45 0.643 . . . . 10.0 110.118 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.7 t -91.75 120.14 40.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.145 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.857 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -134.85 147.0 18.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.199 -1.001 . . . . 10.0 113.225 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.92 145.49 17.21 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.932 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.2 t -137.7 131.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.769 0.319 . . . . 10.0 111.237 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' B' ' 40' ' ' VAL . 72.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.176 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 40.8 mt-10 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.482 0.182 . . . . 10.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.996 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 4.3 p -131.24 149.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.832 -0.347 . . . . 10.0 111.433 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 134.06 34.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.862 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.04 94.43 3.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.092 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 27.8 pt20 -116.48 132.59 56.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 10.0 111.506 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.632 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 36.9 ttpt -134.65 121.4 20.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.656 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.3 115.16 28.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.538 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.775 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.1 t -122.34 116.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.634 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' C' ' 19' ' ' PHE . 22.9 m-85 -118.68 125.35 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.674 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -108.87 121.62 45.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.85 105.3 8.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -109.04 101.18 10.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.29 118.26 31.05 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' CG2' ' C' ' 24' ' ' VAL . 69.3 t -109.65 -30.77 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.459 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.2 -103.71 1.32 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.601 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.476 ' H ' ' HA ' ' E' ' 26' ' ' SER . 0.8 OUTLIER -120.41 106.54 11.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.525 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -63.26 149.9 44.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.828 0.347 . . . . 10.0 110.874 -179.503 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 27.5 tttm -135.43 -84.71 0.39 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.836 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.87 102.81 0.16 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.021 -1.085 . . . . 10.0 113.596 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.708 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -87.02 161.88 17.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 2.0 pt -110.72 115.42 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.862 0.839 . . . . 10.0 111.473 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.08 108.69 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.771 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.874 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.8 110.45 3.41 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.663 -0.779 . . . . 10.0 112.207 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.2 mm? -97.54 84.62 3.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.611 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 10.7 mtm -100.54 71.84 1.54 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.171 0.51 . . . . 10.0 110.336 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.491 ' HB ' HG13 ' C' ' 36' ' ' VAL . 23.9 t -98.97 123.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.908 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.966 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -138.88 143.53 14.25 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.08 -1.057 . . . . 10.0 112.687 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 133.95 4.7 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.865 HG23 HD11 ' M' ' 31' ' ' ILE . 12.1 m -131.19 141.15 46.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.033 0.444 . . . . 10.0 112.191 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' E' ' 40' ' ' VAL . 39.5 t -131.45 132.08 62.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.344 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.17 131.5 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 10.0 111.096 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.657 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.842 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 4.4 mp0 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.624 0.726 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.43 142.44 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.996 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -90.42 106.93 18.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 106.65 18.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.7 tp60 -118.91 103.97 10.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -118.31 126.04 51.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.239 0.542 . . . . 10.0 111.759 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' F' ' 17' ' ' LEU . 13.0 mt -119.83 111.7 18.31 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.5 OUTLIER -122.71 119.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.321 0.581 . . . . 10.0 112.05 -179.04 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -120.64 124.0 44.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.595 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 108.94 9.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.044 0.45 . . . . 10.0 110.146 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.55 132.95 55.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.87 150.72 30.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 2.1 t -138.54 10.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.669 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' D' ' 25' ' ' GLY . . . -142.19 -57.81 0.03 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.249 -0.977 . . . . 10.0 114.136 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' D' ' 26' ' ' SER . 0.3 OUTLIER -168.69 124.45 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.014 0.407 . . . . 10.0 110.853 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -86.5 164.2 17.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 111.374 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 12.9 mttt -142.48 -97.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.378 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.708 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -172.42 103.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.964 -1.112 . . . . 10.0 113.631 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.62 149.72 27.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 7.9 mt -103.67 88.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.37 117.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.212 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.502 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -123.46 106.05 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.101 -1.047 . . . . 10.0 113.361 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -96.41 88.86 4.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -105.07 72.23 0.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.591 0.71 . . . . 10.0 110.451 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' F' ' 36' ' ' VAL . 31.3 m -101.38 133.72 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.609 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -138.41 152.52 22.02 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.413 -0.899 . . . . 10.0 112.729 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 128.93 4.19 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.928 HG21 ' HA3' ' M' ' 33' ' ' GLY . 55.2 t -126.29 117.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.061 0.458 . . . . 10.0 111.828 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' D' ' 40' ' ' VAL . 60.7 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.814 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.782 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 2.3 tp10 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.315 -0.254 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.984 ' HB ' HG12 ' G' ' 12' ' ' VAL . 7.2 t -89.82 91.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -71.92 126.68 30.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.431 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -125.3 97.24 5.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.175 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 8.1 tt0 -112.89 115.75 28.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -130.37 123.7 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.382 0.61 . . . . 10.0 112.385 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' E' ' 17' ' ' LEU . 7.3 mp -113.76 117.24 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.057 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.943 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.2 t -119.96 118.44 56.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -120.11 123.19 42.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -107.11 129.11 54.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.153 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.19 109.0 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.801 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -121.15 100.21 6.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.252 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.531 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 35.7 m-20 -103.16 104.3 14.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.351 0.596 . . . . 10.0 109.57 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.658 HG22 ' HA ' ' G' ' 24' ' ' VAL . 17.2 m -93.15 7.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.017 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' G' ' 25' ' ' GLY . . . -117.91 -90.91 1.46 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.023 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -137.83 100.35 4.16 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.77 142.27 58.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.179 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -124.38 -70.29 0.76 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 144.69 106.6 0.53 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 119.831 -1.176 . . . . 10.0 114.277 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -86.06 155.28 20.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.657 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 18.0 tt -104.93 111.82 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.705 0.764 . . . . 10.0 111.717 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.559 HG12 HD12 ' G' ' 32' ' ' ILE . 38.3 mt -114.71 114.26 46.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.676 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.81 111.09 3.44 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.282 -0.727 . . . . 10.0 111.282 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.2 mm? -95.09 72.61 3.38 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.456 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -84.42 70.51 10.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.815 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.2 t -103.31 110.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.243 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -120.81 146.63 17.57 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.538 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 142.54 13.53 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.985 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.8 t -134.96 135.46 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 122.095 0.158 . . . . 10.0 110.631 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.452 HG23 HG13 ' G' ' 40' ' ' VAL . 7.5 p -151.02 145.37 16.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.619 0.247 . . . . 10.0 110.537 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 tt -99.41 144.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.768 0.318 . . . . 10.0 110.593 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.939 -179.736 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' F' ' 11' ' ' GLU . 2.4 mt-10 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.334 0.587 . . . . 10.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.984 HG12 ' HB ' ' F' ' 12' ' ' VAL . 12.7 m -122.8 133.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.775 . . . . 10.0 112.112 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -92.65 100.21 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 103.87 14.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.11 0.481 . . . . 10.0 112.072 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 4.2 tp60 -106.55 96.02 6.16 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.74 110.48 21.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.478 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' H' ' 17' ' ' LEU . 15.3 mt -118.1 113.83 22.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -131.67 131.06 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.3 127.14 42.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.66 119.35 37.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.774 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 117.6 30.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.8 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -120.57 115.09 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.783 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.414 ' O ' HG22 ' F' ' 24' ' ' VAL . 10.3 t70 -110.98 125.51 53.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.898 0.38 . . . . 10.0 110.343 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' F' ' 24' ' ' VAL . 2.9 t -114.7 9.5 7.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.094 0.474 . . . . 10.0 110.406 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' F' ' 25' ' ' GLY . . . -139.81 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.99 -1.1 . . . . 10.0 113.866 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -150.39 103.2 3.12 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.633 -0.334 . . . . 10.0 111.184 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.73 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 21.0 t-20 -62.06 146.86 49.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.364 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' H' ' 28' ' ' LYS . 25.4 tttp -126.18 -84.77 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 169.35 104.24 0.17 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 119.855 -1.164 . . . . 10.0 113.605 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.42 ' HA ' ' CA ' ' H' ' 29' ' ' GLY . . . -84.97 154.67 22.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.548 HD12 HG23 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -101.28 94.41 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.559 HD12 HG12 ' F' ' 32' ' ' ILE . 60.2 mt -104.52 105.14 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 10.0 110.842 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -109.69 92.97 0.73 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.607 HD21 HD13 ' G' ' 17' ' ' LEU . 14.5 tp -87.88 69.93 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 10.0 110.077 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HB2' ' H' ' 35' ' ' MET . 8.6 ptp -81.79 83.36 7.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.8 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.73 HG13 ' HB ' ' H' ' 36' ' ' VAL . 62.8 t -101.72 122.83 54.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.43 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' SD ' ' O' ' 35' ' ' MET . . . -127.26 141.84 12.99 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.52 -0.847 . . . . 10.0 112.172 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.27 120.86 1.21 Allowed Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.577 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.985 HG12 ' HB ' ' F' ' 39' ' ' VAL . 34.7 m -126.85 133.76 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.369 0.604 . . . . 10.0 111.329 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.631 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -56.25 133.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 123.437 0.461 . . . . 10.0 109.969 178.301 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.69 133.61 53.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -115.65 115.16 25.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.59 112.74 19.3 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.002 0.429 . . . . 10.0 111.459 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -119.44 111.26 17.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.491 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD23 ' G' ' 17' ' ' LEU . 7.2 mp -116.82 111.05 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.307 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -120.28 125.38 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.553 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.01 133.54 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -113.54 127.72 56.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.822 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.05 83.07 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.215 0.531 . . . . 10.0 109.857 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.22 160.41 14.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.217 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -154.67 138.05 15.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.401 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.48 20.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.29 -73.41 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -147.18 94.65 2.43 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.73 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 25.0 t-20 -52.47 126.36 19.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 0.7 OUTLIER -104.82 -90.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.053 0.454 . . . . 10.0 110.366 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' G' ' 30' ' ' ALA . . . 160.61 113.57 0.32 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.669 -0.777 . . . . 10.0 112.319 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.09 158.12 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.868 0.366 . . . . 10.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.548 HG23 HD12 ' G' ' 31' ' ' ILE . 1.7 mp -97.18 99.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.39 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -110.17 107.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.812 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.52 77.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.753 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.86 109.93 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.938 0.399 . . . . 10.0 110.701 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.535 ' HB2' ' HG3' ' G' ' 35' ' ' MET . 12.6 ttm -112.1 113.36 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.73 ' HB ' HG13 ' G' ' 36' ' ' VAL . 82.6 t -98.59 123.71 51.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.6 90.6 0.59 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.022 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.53 115.41 5.13 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.72 128.31 62.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.0 p -158.07 152.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.557 0.217 . . . . 10.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.69 158.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.905 0.384 . . . . 10.0 111.053 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.556 -0.735 . . . . 10.0 110.521 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' J' ' 11' ' ' GLU . 2.7 mp0 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.45 178.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.545 0.688 . . . . 10.0 112.534 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -101.59 113.48 26.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.662 -1.154 . . . . 10.0 109.298 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -99.62 101.65 12.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.74 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.57 117.76 35.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.595 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -121.61 115.51 22.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.072 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mp -128.35 106.21 8.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.91 134.09 60.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.262 0.553 . . . . 10.0 112.384 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.68 109.82 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.662 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -92.59 97.52 10.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 10.0 110.749 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.71 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.399 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 0.3 OUTLIER -84.47 164.73 18.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.203 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.87 108.02 6.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.105 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 14.6 t -136.46 -28.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.91 0.386 . . . . 10.0 110.723 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -112.69 -157.79 13.3 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.214 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 1.2 m -65.87 124.8 23.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.787 0.293 . . . . 10.0 110.42 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' J' ' 27' ' ' ASN . 1.0 OUTLIER -77.92 150.61 34.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.279 . . . . 10.0 111.675 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.431 ' HD3' ' HG3' ' J' ' 28' ' ' LYS . 15.9 mtpt -141.58 -90.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.29 121.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.086 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -78.95 168.94 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.039 0.447 . . . . 10.0 112.088 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.593 HD13 ' H ' ' B' ' 42' ' ' ALA . 16.1 mt -112.33 88.53 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.401 -0.963 . . . . 10.0 108.401 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.78 131.1 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 10.0 111.852 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.45 114.01 2.36 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.174 -0.771 . . . . 10.0 111.174 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -105.32 103.99 13.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.731 0.301 . . . . 10.0 111.518 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -116.97 16.61 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.243 0.544 . . . . 10.0 109.583 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' J' ' 36' ' ' VAL . 41.0 t -62.7 133.5 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.089 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -170.03 -173.69 37.63 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.79 -0.719 . . . . 10.0 111.913 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 160.87 24.38 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.27 -0.732 . . . . 10.0 111.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.542 HG13 HG23 ' J' ' 39' ' ' VAL . 8.1 p -152.33 141.63 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.82 0.31 . . . . 10.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.793 HG12 ' HB ' ' J' ' 40' ' ' VAL . 4.1 m -132.71 -173.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 pt -88.06 125.36 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.212 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.483 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HG3' ' I' ' 11' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.936 0.398 . . . . 10.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.715 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.8 t -102.97 107.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -83.6 118.46 23.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.24 87.98 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.847 0.356 . . . . 10.0 110.257 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.2 103.62 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.997 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -114.17 108.68 17.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.697 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' K' ' 17' ' ' LEU . 6.5 mp -110.62 106.36 15.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.842 ' HB ' HG12 ' K' ' 18' ' ' VAL . 28.0 t -115.16 118.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.506 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 79.7 m-85 -113.95 127.62 56.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.625 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -113.27 126.86 55.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.572 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.49 93.56 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.947 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 6.7 pt-20 -100.5 93.43 5.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -78.35 85.73 4.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.968 179.035 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.577 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 47.5 t -83.12 -26.07 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.16 -67.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.011 -1.09 . . . . 10.0 111.433 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 0.0 OUTLIER -156.75 121.91 4.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' I' ' 27' ' ' ASN . 8.4 m120 -65.73 156.73 32.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.35 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.746 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.0 OUTLIER -151.76 -116.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.208 178.389 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -156.31 87.99 0.12 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 119.848 -1.168 . . . . 10.0 114.009 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.504 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -75.68 141.24 42.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' K' ' 31' ' ' ILE . 1.5 tt -101.82 110.34 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 10.0 111.908 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -117.57 117.89 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.321 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.74 116.1 3.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.638 -0.791 . . . . 10.0 111.352 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' J' ' 19' ' ' PHE . 40.8 mt -107.08 100.22 9.72 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.645 -0.327 . . . . 10.0 111.141 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mmt -107.65 34.33 3.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.192 0.52 . . . . 10.0 110.113 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 22.3 t -72.29 118.7 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.918 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -151.61 137.32 5.92 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.214 -0.993 . . . . 10.0 112.977 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.87 139.0 10.58 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.567 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.591 HG13 HG23 ' K' ' 39' ' ' VAL . 3.6 p -130.0 127.89 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.95 0.405 . . . . 10.0 110.996 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.793 ' HB ' HG12 ' I' ' 40' ' ' VAL . 62.1 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.488 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 31.4 mm-40 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.658 0.265 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.715 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -109.07 114.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 10.0 111.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -79.73 94.07 5.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -84.91 105.67 15.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.423 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -122.81 89.63 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.675 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -105.77 124.48 49.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.088 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' K' ' 34' ' ' LEU . 11.9 mt -123.41 111.71 16.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.408 -0.814 . . . . 10.0 108.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.842 HG12 ' HB ' ' J' ' 18' ' ' VAL . 5.5 m -124.86 130.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.313 0.577 . . . . 10.0 112.425 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -125.84 118.69 26.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.202 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -107.36 109.05 20.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.879 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.64 109.88 19.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 50.8 mt-10 -112.96 117.1 31.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.232 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.57 ' HB2' HD22 ' L' ' 27' ' ' ASN . 1.6 t70 -108.06 129.95 55.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.704 -0.225 . . . . 10.0 110.538 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 6.8 m -131.83 17.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.127 0.489 . . . . 10.0 109.92 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.4 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.241 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 89.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.536 0.334 . . . . 10.0 110.685 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 58.8 t30 -62.38 151.29 37.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 10.0 111.863 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.746 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 42.0 tttp -131.66 -92.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.067 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -170.7 104.52 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.592 -1.289 . . . . 10.0 113.697 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 139.46 34.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.913 ' HA ' HG23 ' J' ' 31' ' ' ILE . 0.3 OUTLIER -94.72 110.74 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 10.0 112.708 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.23 113.52 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.984 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 33' ' ' GLY . . . . . 0.932 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -117.76 119.68 4.49 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.598 -0.811 . . . . 10.0 112.735 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.675 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 7.3 mp -101.43 88.19 3.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 10.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.857 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.8 mpp? -94.57 61.15 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.742 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 24.0 t -95.3 115.14 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.033 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 37' ' ' GLY . . . . . 0.805 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -140.49 149.51 20.97 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.727 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.68 150.96 23.22 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.73 -0.748 . . . . 10.0 112.077 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.703 HG13 ' HB ' ' L' ' 39' ' ' VAL . 4.8 p -136.22 126.4 40.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 10.0 110.547 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.453 HG13 ' HB ' ' L' ' 40' ' ' VAL . 44.6 t -123.45 142.79 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.098 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.622 ' HA ' HG21 ' C' ' 31' ' ' ILE . 20.4 tt -81.32 134.45 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.95 0.405 . . . . 10.0 111.308 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.257 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 11' ' ' GLU . . . . . 0.489 ' HG3' ' HB3' ' M' ' 11' ' ' GLU . 81.2 mt-10 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 111.519 0.192 . . . . 10.0 111.519 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.536 HG22 ' H ' ' L' ' 13' ' ' HIS . 1.5 p -118.33 166.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.536 ' H ' HG22 ' L' ' 12' ' ' VAL . 82.5 t60 -103.11 133.74 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.184 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -122.59 106.36 10.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -116.67 121.4 41.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.098 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -130.89 117.04 18.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 10.0 111.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.3 115.78 28.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.36 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.898 ' HB ' HG12 ' M' ' 18' ' ' VAL . 18.6 t -122.4 115.39 45.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.486 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -119.12 124.37 46.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -109.66 124.76 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.53 101.6 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -107.21 102.34 11.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.28 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.63 98.24 10.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.125 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.681 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 96.6 t -82.05 -32.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.04 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.53 -140.86 11.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.199 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -81.52 127.4 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 2.2 m-20 -82.64 156.51 23.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 3.0 ttpt -136.78 -81.69 0.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.11 100.67 0.16 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.641 -1.266 . . . . 10.0 113.942 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -89.16 162.26 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.079 -1.082 . . . . 10.0 108.079 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.845 HD11 ' HB ' ' D' ' 39' ' ' VAL . 3.4 tt -121.17 124.2 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.232 -0.587 . . . . 10.0 112.207 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -120.39 110.5 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.263 -0.881 . . . . 10.0 109.81 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.762 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -100.71 109.17 3.61 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.675 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -94.89 78.06 3.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.828 0.347 . . . . 10.0 110.7 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.966 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 4.9 mpp? -90.72 77.83 6.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.285 0.564 . . . . 10.0 109.784 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 23.9 t -105.83 125.58 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.09 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -140.31 158.51 25.95 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.341 -0.933 . . . . 10.0 112.727 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.71 138.54 5.48 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 1.051 HG13 HG12 ' M' ' 39' ' ' VAL . 0.3 OUTLIER -138.07 136.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.192 0.52 . . . . 10.0 112.144 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.453 ' HB ' HG13 ' K' ' 40' ' ' VAL . 69.5 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.079 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 11' ' ' GLU . . . . . 0.489 ' HB3' ' HG3' ' L' ' 11' ' ' GLU . 71.3 mm-40 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.167 0.508 . . . . 10.0 111.251 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.416 ' N ' HG21 ' N' ' 12' ' ' VAL . 20.5 m -115.11 138.32 45.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.343 0.592 . . . . 10.0 112.284 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -79.67 111.43 15.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.873 -1.158 . . . . 10.0 107.873 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.07 97.41 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 10.0 111.028 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -104.3 108.88 20.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.609 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 16' ' ' LYS . . . . . 0.56 ' HB3' ' HG2' ' N' ' 16' ' ' LYS . 82.6 tttt -122.66 121.53 36.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.273 0.559 . . . . 10.0 111.59 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -121.34 114.16 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.4 OUTLIER -126.2 124.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.307 0.575 . . . . 10.0 112.35 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.608 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 20.2 m-85 -123.93 128.74 49.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.448 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -117.95 110.43 17.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.267 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.8 117.47 31.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -126.93 114.66 18.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.473 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.32 136.68 47.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.493 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.681 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -124.01 16.63 4.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.679 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.86 -66.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.897 -1.144 . . . . 10.0 113.776 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 33.2 m -158.16 98.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.582 -0.364 . . . . 10.0 110.772 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.16 140.89 43.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.317 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' L' ' 28' ' ' LYS . 9.0 mttp -114.16 -100.47 0.43 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.36 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -164.16 90.51 0.1 Allowed Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.801 -1.19 . . . . 10.0 113.654 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -80.0 137.06 36.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.865 HD11 HG23 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -96.08 107.02 19.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.385 0.612 . . . . 10.0 111.429 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.09 128.61 67.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.725 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 0.928 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -132.07 121.64 3.09 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.293 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.4 mp -108.15 98.5 8.04 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.557 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.8 mtm -105.06 93.04 4.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.484 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' N' ' 36' ' ' VAL . 2.1 p -127.12 121.25 57.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.281 0.563 . . . . 10.0 111.057 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 37' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -144.68 172.44 25.61 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.114 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.19 9.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.076 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 1.051 HG12 HG13 ' L' ' 39' ' ' VAL . 32.8 m -128.35 132.13 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.806 HG12 ' HB ' ' N' ' 40' ' ' VAL . 27.3 m -148.0 165.89 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.19 0.519 . . . . 10.0 112.05 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.457 HD11 HG21 ' D' ' 31' ' ' ILE . 4.5 mm -138.64 113.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.568 -179.564 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.369 0.604 . . . . 10.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.458 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.5 OUTLIER -76.29 140.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.667 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.27 136.46 54.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.792 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.47 71.65 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.229 -0.896 . . . . 10.0 108.947 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -86.17 115.13 23.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.546 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' M' ' 16' ' ' LYS . 17.4 mttt -129.31 113.56 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.263 0.554 . . . . 10.0 110.928 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.701 HD22 HD13 ' N' ' 34' ' ' LEU . 6.0 mp -113.03 129.26 56.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.726 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 3.3 t -127.18 119.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.905 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -119.6 124.81 47.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.724 0.297 . . . . 10.0 110.592 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -106.89 124.32 49.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.687 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 93.36 3.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.149 -0.685 . . . . 10.0 109.149 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -106.13 99.53 9.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.33 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.538 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 26.6 m-20 -97.01 105.95 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.233 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.558 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 85.6 t -82.35 -26.64 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.273 0.559 . . . . 10.0 109.925 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.89 -86.56 1.88 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.201 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.6 m -162.4 128.88 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.538 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.8 p30 -92.12 158.8 15.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 10.0 111.172 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 1.038 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 32.5 mttm -116.8 -75.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.434 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -168.82 80.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 119.92 -1.133 . . . . 10.0 113.73 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.441 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -85.21 132.51 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.709 HD12 HG13 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -97.33 119.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.57 0.7 . . . . 10.0 112.148 -179.451 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.566 HG12 HD12 ' O' ' 32' ' ' ILE . 74.1 mt -112.79 101.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.972 -1.013 . . . . 10.0 108.474 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.682 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -108.25 117.5 5.1 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.977 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.701 HD13 HD22 ' N' ' 17' ' ' LEU . 49.4 mt -109.19 107.36 17.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.554 ' O ' ' HA ' ' O' ' 35' ' ' MET . 5.8 mtm -115.63 101.19 8.62 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.6 p -132.29 131.03 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.127 0.489 . . . . 10.0 111.669 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' M' ' 37' ' ' GLY . . . -147.03 136.99 6.4 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.648 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.1 154.38 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.783 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 20.1 m -135.24 132.77 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.967 0.413 . . . . 10.0 111.904 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.806 ' HB ' HG12 ' M' ' 40' ' ' VAL . 69.3 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.78 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 24.5 mt-10 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.082 0.468 . . . . 10.0 110.955 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -69.96 158.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 10.0 112.343 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -99.54 100.36 11.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.6 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -90.65 111.17 22.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.428 . . . . 10.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.0 105.07 11.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.776 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 1.7 tppp? -110.97 104.17 12.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.689 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.626 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -109.67 115.09 29.24 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.654 -0.869 . . . . 10.0 108.654 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 6.4 p -134.99 125.44 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 112.535 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.4 132.11 55.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.292 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.61 109.13 20.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.351 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.97 97.63 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.064 0.459 . . . . 10.0 109.836 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.05 127.7 56.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.911 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 23' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.3 t70 -111.94 145.57 39.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.647 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.1 t -126.78 8.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 10.0 110.439 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' N' ' 25' ' ' GLY . . . -148.34 -64.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.431 -0.89 . . . . 10.0 113.186 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.71 100.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.855 0.359 . . . . 10.0 110.838 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.575 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 38.0 t30 -78.86 122.69 26.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.61 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 1.038 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 28.3 tttm -88.37 -72.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.62 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 147.27 124.62 1.53 Allowed Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.297 -0.954 . . . . 10.0 112.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -105.17 168.93 8.74 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.338 -0.615 . . . . 10.0 109.338 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' P' ' 31' ' ' ILE . 2.6 pt -103.73 94.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.909 0.861 . . . . 10.0 110.85 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.566 HD12 HG12 ' N' ' 32' ' ' ILE . 61.4 mt -90.23 111.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.855 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.53 111.86 1.95 Allowed Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.182 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.11 101.39 10.19 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.554 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.6 mtm -113.24 98.38 7.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.176 0.512 . . . . 10.0 110.166 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.4 m -125.77 159.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.03 -179.28 48.01 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.391 -0.909 . . . . 10.0 112.09 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -170.66 152.58 19.06 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.459 -0.877 . . . . 10.0 112.939 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' P' ' 39' ' ' VAL . 2.4 m -126.81 145.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.585 HG13 HG22 ' N' ' 40' ' ' VAL . 2.7 p -165.45 138.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 10.0 111.07 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 34.4 mm -97.96 105.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 110.019 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.519 179.885 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 11' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 1.1 pm0 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.95 0.405 . . . . 10.0 110.712 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.87 141.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.442 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.74 119.93 40.39 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.572 -0.451 . . . . 10.0 110.374 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -111.54 97.69 6.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.851 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -115.68 119.1 34.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 14.5 ptmt -136.0 117.18 14.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.106 0.479 . . . . 10.0 111.627 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.4 mp -113.73 105.06 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.92 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.14 117.63 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.074 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -121.48 138.43 54.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.2 128.73 56.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.447 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.39 72.26 1.43 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.173 0.511 . . . . 10.0 109.962 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.09 130.15 53.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 6.1 t70 -133.14 125.97 30.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 10.0 110.262 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.56 -5.2 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.342 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.99 -64.44 0.37 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.507 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 20.2 m -157.05 113.64 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.575 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.1 m120 -73.95 77.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -55.18 -54.09 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.096 0.474 . . . . 10.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 91.96 132.78 5.83 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.73 -0.747 . . . . 10.0 112.783 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.74 -152.41 0.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.285 -0.265 . . . . 10.0 110.285 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.641 ' HA ' HG13 ' O' ' 31' ' ' ILE . 45.9 pt -104.37 125.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.898 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' O' ' 32' ' ' ILE . 25.7 mt -126.53 88.78 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.66 108.31 2.62 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.571 -0.824 . . . . 10.0 113.076 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' P' ' 34' ' ' LEU . 3.2 mm? -108.94 111.38 23.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.665 0.269 . . . . 10.0 110.441 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' O' ' 35' ' ' MET . 2.9 mpt? -115.77 103.57 10.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.94 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' O' ' 36' ' ' VAL . 40.5 t -126.88 114.82 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.692 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.468 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -131.45 156.6 21.92 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.081 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 38' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -138.14 154.08 22.66 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.409 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' O' ' 39' ' ' VAL . 18.5 m -130.63 131.24 64.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 10.0 111.034 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 29.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.703 -0.665 . . . . 10.0 110.379 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.598 ' HB3' HG22 ' B' ' 12' ' ' VAL . 2.1 mm-40 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.272 0.558 . . . . 10.0 110.054 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.06 156.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.7 -0.682 . . . . 10.0 112.64 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -87.53 109.89 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.611 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 51.9 m170 -98.27 93.27 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 28.6 tt0 -106.87 126.77 52.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.861 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -136.23 123.23 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.91 116.79 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 HG13 ' B' ' 18' ' ' VAL . 1.3 m -129.46 127.68 65.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.33 0.586 . . . . 10.0 112.169 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -112.14 100.54 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.33 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.84 97.68 11.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.582 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.57 131.78 47.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.083 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.971 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.4 mm-40 -88.65 153.56 21.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.998 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -128.8 94.48 3.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.608 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.4 t -128.33 -41.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.789 0.328 . . . . 10.0 111.068 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -96.62 -159.01 31.69 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.202 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -63.35 120.51 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.389 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.78 148.18 25.8 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.677 0.992 . . . . 10.0 113.677 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -160.78 166.82 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.169 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' B' ' 29' ' ' GLY . . . -101.48 155.92 18.95 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.241 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.1 137.67 46.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD13 ' B' ' 31' ' ' ILE . 21.5 mm -92.41 93.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.083 0.468 . . . . 10.0 110.253 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.868 HG22 ' HB ' ' B' ' 32' ' ' ILE . 7.8 pt -120.53 145.98 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.726 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA3' HG11 ' I' ' 39' ' ' VAL . . . -131.97 116.35 1.84 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.545 -0.622 . . . . 10.0 111.545 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' B' ' 34' ' ' LEU . 52.0 mt -100.01 94.11 6.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 10.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -107.23 23.29 14.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.474 0.654 . . . . 10.0 109.675 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' B' ' 36' ' ' VAL . 16.5 m -69.79 139.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 10.0 111.653 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -172.39 161.27 32.87 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.424 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.67 126.24 1.96 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG13 HG23 ' B' ' 39' ' ' VAL . 3.7 p -122.71 123.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.056 0.455 . . . . 10.0 111.02 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.31 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.471 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 10.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.046 0.451 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.864 ' HB ' HG12 ' C' ' 12' ' ' VAL . 4.0 t -106.91 90.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -72.4 116.77 13.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.463 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.611 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 21.2 m170 -112.38 92.88 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.2 tt0 -113.78 109.03 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.983 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.59 122.74 38.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 10.0 111.839 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.06 105.53 13.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.973 -1.012 . . . . 10.0 109.107 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 18' ' ' VAL . 10.5 t -111.37 120.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.6 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.14 121.53 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.07 119.66 40.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.374 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.67 100.07 5.18 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.971 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 30.5 mt-10 -98.09 92.84 5.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -83.17 83.87 7.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.033 0.444 . . . . 10.0 110.625 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.2 t -89.06 -25.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.027 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.26 -64.59 1.39 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.118 -1.039 . . . . 10.0 111.118 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.479 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 96.3 p -162.69 121.7 2.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.618 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 9.1 m120 -60.88 146.83 45.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.596 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' C' ' 28' ' ' LYS . 19.9 tptt -144.74 -36.25 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 29' ' ' GLY . . . 94.09 136.8 8.31 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.526 -0.845 . . . . 10.0 111.877 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 162.03 13.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.676 0.274 . . . . 10.0 111.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.47 HD13 ' HB ' ' A' ' 31' ' ' ILE . 22.7 mm -101.24 92.81 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.892 -1.151 . . . . 10.0 107.892 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.868 ' HB ' HG22 ' A' ' 32' ' ' ILE . 39.7 mt -116.31 126.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.368 0.604 . . . . 10.0 111.978 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.32 123.24 5.59 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.465 -0.788 . . . . 10.0 111.564 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' A' ' 34' ' ' LEU . 3.2 mm? -107.72 100.92 10.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -110.21 32.39 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 10.0 110.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HB ' HG12 ' A' ' 36' ' ' VAL . 24.0 t -72.79 101.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.787 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -133.68 143.73 15.49 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.315 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.43 146.49 17.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.027 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 39' ' ' VAL . 11.5 p -134.03 134.52 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.969 0.414 . . . . 10.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.701 HG22 ' HB ' ' C' ' 40' ' ' VAL . 79.6 t -133.9 133.23 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.879 ' HB ' HG21 ' J' ' 31' ' ' ILE . 16.4 tt -67.83 129.34 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.957 0.408 . . . . 10.0 111.1 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.882 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.71 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.305 0.574 . . . . 10.0 111.258 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.864 HG12 ' HB ' ' B' ' 12' ' ' VAL . 2.8 m -107.54 110.77 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.125 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -77.58 99.55 5.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -91.66 107.52 19.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.325 0.584 . . . . 10.0 111.617 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.52 95.45 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.265 -0.879 . . . . 10.0 109.033 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.509 ' HD3' ' HD2' ' D' ' 16' ' ' LYS . 87.9 tttt -108.4 121.96 46.03 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.47 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' D' ' 17' ' ' LEU . 1.4 mt -120.25 114.25 21.62 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 7.2 p -133.13 126.96 54.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.598 0.713 . . . . 10.0 112.283 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.954 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.39 110.9 22.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.97 103.73 10.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -108.48 112.52 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.482 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.762 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.4 OUTLIER -104.18 130.16 51.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.572 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.5 m -134.31 18.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 10.0 109.563 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.38 -66.15 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.338 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -170.62 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.086 0.554 . . . . 10.0 109.719 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.554 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 60.6 t30 -58.18 144.31 41.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.121 0.486 . . . . 10.0 112.145 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.688 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 56.0 tttp -132.09 -13.63 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.92 148.8 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.495 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.404 ' HB2' ' HA2' ' D' ' 29' ' ' GLY . . . -129.26 166.24 19.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.775 HD12 HG22 ' K' ' 39' ' ' VAL . 1.5 pt -100.89 121.16 51.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.517 0.675 . . . . 10.0 110.694 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.4 mt -129.98 111.64 21.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.822 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.64 117.66 4.54 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.625 -0.797 . . . . 10.0 111.713 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.6 mp -104.78 87.07 2.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.954 0.407 . . . . 10.0 110.494 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' D' ' 35' ' ' MET . 0.8 OUTLIER -95.15 50.96 1.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.995 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 22.1 t -83.58 108.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.082 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -126.53 142.53 13.65 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.863 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.65 152.34 19.25 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.793 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.1 t -143.2 132.93 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.877 0.37 . . . . 10.0 111.262 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.701 ' HB ' HG22 ' B' ' 40' ' ' VAL . 68.9 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.81 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.71 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.2 p -131.86 164.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.425 ' H ' HG22 ' D' ' 12' ' ' VAL . 3.6 t60 -88.37 133.24 34.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 10.0 111.68 -178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.21 89.53 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.675 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -120.55 135.7 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.696 0.628 . . . . 10.0 112.696 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.509 ' HD2' ' HD3' ' C' ' 16' ' ' LYS . 37.1 ttpt -136.34 124.11 22.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.766 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' C' ' 17' ' ' LEU . 7.0 mp -110.64 114.25 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.238 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.792 ' HB ' HG12 ' E' ' 18' ' ' VAL . 18.1 t -119.56 116.54 51.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.478 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -115.13 124.77 52.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.677 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -107.36 121.28 44.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.58 99.09 5.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -104.92 93.38 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.79 115.86 24.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.482 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.492 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.1 t -110.16 -29.82 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.802 0.334 . . . . 10.0 111.491 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.95 -80.95 1.35 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.257 -0.973 . . . . 10.0 112.81 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -149.86 115.15 5.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.762 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -64.4 150.97 45.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.662 ' HA ' ' HD3' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -138.2 -40.32 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.685 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' C' ' 30' ' ' ALA . . . 111.63 114.31 3.41 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.29 -0.957 . . . . 10.0 114.203 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.582 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -98.71 172.39 7.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 4.7 pt -113.48 115.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.761 0.791 . . . . 10.0 111.065 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.422 HG12 HD11 ' E' ' 32' ' ' ILE . 27.2 mt -116.89 117.64 56.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.018 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.758 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -112.72 112.5 3.0 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.056 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.4 mm? -100.16 74.1 1.75 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 10.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.716 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 9.3 mtm -89.23 69.12 8.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 34.9 t -100.1 125.37 53.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.996 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.37 155.48 25.21 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.645 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' E' ' 38' ' ' GLY . . . -161.39 132.96 3.0 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.655 -0.783 . . . . 10.0 111.844 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 1.002 HG23 HD11 ' M' ' 31' ' ' ILE . 6.3 m -134.99 149.92 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.572 0.225 . . . . 10.0 111.372 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.611 HG23 ' HB ' ' E' ' 40' ' ' VAL . 12.1 p -149.89 142.35 17.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.195 0.521 . . . . 10.0 111.475 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.404 HD12 ' O ' ' M' ' 29' ' ' GLY . 6.7 tt -72.02 138.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.843 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.299 179.517 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' F' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.614 0.721 . . . . 10.0 110.539 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -90.29 157.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.897 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.92 97.48 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -88.86 111.52 22.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.061 0.458 . . . . 10.0 110.543 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -124.68 103.83 8.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.997 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -114.31 121.36 43.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.53 HD13 HD23 ' E' ' 34' ' ' LEU . 25.1 mt -119.87 113.61 20.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.4 OUTLIER -126.53 125.59 67.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -178.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -121.28 118.4 29.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.407 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -107.83 112.73 25.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.69 0.281 . . . . 10.0 110.883 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -125.78 110.73 14.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.34 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -118.66 133.49 55.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.895 0.378 . . . . 10.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.457 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.3 OUTLIER -114.25 146.9 39.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.605 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.425 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.4 t -137.69 6.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.637 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.52 -68.93 0.07 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.482 -0.866 . . . . 10.0 113.251 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -163.41 115.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.178 0.489 . . . . 10.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.52 159.58 34.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.54 0.686 . . . . 10.0 112.039 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -136.09 -116.76 0.17 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.335 178.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -153.87 93.39 0.14 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.15 -1.024 . . . . 10.0 113.015 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -73.99 149.08 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 9.8 mt -111.7 90.32 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.422 HD11 HG12 ' D' ' 32' ' ' ILE . 11.3 pt -112.61 114.73 47.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 10.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.411 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -117.7 109.58 1.87 Allowed Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.484 -0.865 . . . . 10.0 113.168 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.767 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 6.8 mp -93.82 82.91 4.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ptp -97.7 75.17 2.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.537 0.684 . . . . 10.0 110.646 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' F' ' 36' ' ' VAL . 27.2 m -106.78 136.52 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.991 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.896 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -150.78 140.55 7.99 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.155 -1.022 . . . . 10.0 113.033 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.402 ' O ' ' HA2' ' D' ' 38' ' ' GLY . . . -127.01 141.19 12.44 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 1.075 HG21 ' HA3' ' M' ' 33' ' ' GLY . 39.4 t -131.5 123.68 53.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.949 0.404 . . . . 10.0 111.621 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' D' ' 40' ' ' VAL . 95.2 t . . . . . 0 C--O 1.237 0.417 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.911 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.067 0.461 . . . . 10.0 110.246 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.766 ' HB ' HG12 ' G' ' 12' ' ' VAL . 8.8 t -76.0 109.1 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' F' ' 15' ' ' GLN . 7.9 t60 -88.49 118.69 28.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.57 0.224 . . . . 10.0 110.73 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -111.14 86.57 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.148 0.499 . . . . 10.0 110.143 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' F' ' 13' ' ' HIS . 4.6 tt0 -103.61 114.72 29.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.385 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' HG2' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -136.86 120.79 17.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.367 0.603 . . . . 10.0 112.304 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.8 mp -115.82 119.12 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.628 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.79 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.5 t -121.39 121.39 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.391 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.4 127.35 53.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.06 122.23 46.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' E' ' 21' ' ' ALA . . . -131.83 95.39 3.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.659 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -108.37 101.86 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.377 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.538 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 72.6 m-20 -102.55 111.39 23.68 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.5 HG22 ' O ' ' G' ' 23' ' ' ASP . 17.0 m -102.51 -1.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.69 -87.94 1.62 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.174 -1.013 . . . . 10.0 112.861 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.42 101.52 5.19 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.85 147.01 51.38 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.2 0.524 . . . . 10.0 111.757 -178.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -131.95 -57.78 0.97 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 118.72 120.58 2.96 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.156 -1.021 . . . . 10.0 112.857 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -92.58 156.73 16.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.612 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 19.5 tt -105.08 106.11 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.843 0.83 . . . . 10.0 110.848 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.448 HG12 HD12 ' G' ' 32' ' ' ILE . 44.0 mt -115.2 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.595 -1.184 . . . . 10.0 110.714 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.24 112.11 4.03 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.8 mm? -91.69 72.74 5.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.664 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.5 mpt? -86.99 66.93 9.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.665 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.7 t -101.84 123.06 54.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.201 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -134.26 156.05 22.19 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.604 -0.808 . . . . 10.0 112.886 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.62 145.55 15.41 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.803 -0.519 . . . . 10.0 111.803 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.976 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.0 t -144.87 138.39 22.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 10.0 111.178 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.599 HG23 HG13 ' G' ' 40' ' ' VAL . 9.8 p -155.94 167.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.423 ' H ' HG22 ' F' ' 40' ' ' VAL . 3.6 pt -101.72 172.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.608 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.838 ' HA ' HG11 ' H' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 121.064 0.459 . . . . 10.0 110.289 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' F' ' 12' ' ' VAL . 5.8 m -117.81 126.54 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.17 104.8 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.817 -1.179 . . . . 10.0 107.817 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -93.09 119.91 32.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -122.94 89.29 3.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HG3' ' F' ' 16' ' ' LYS . 0.2 OUTLIER -106.01 112.43 25.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.562 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.583 ' HB2' ' HG ' ' F' ' 17' ' ' LEU . 56.0 mt -118.75 117.92 30.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.79 HG12 ' HB ' ' F' ' 18' ' ' VAL . 1.6 m -129.73 129.49 66.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.305 0.574 . . . . 10.0 112.044 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -125.13 119.49 28.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.844 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -101.8 116.39 32.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.74 112.95 12.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.036 0.446 . . . . 10.0 109.93 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.704 ' HG2' ' HB3' ' H' ' 22' ' ' GLU . 4.6 pt-20 -126.91 134.12 50.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.017 0.437 . . . . 10.0 111.648 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.585 ' HA ' ' OD1' ' H' ' 23' ' ' ASP . 0.1 OUTLIER -104.3 146.11 29.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.54 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 79.2 t -127.69 -20.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.178 0.514 . . . . 10.0 110.787 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -121.14 -65.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.58 -0.819 . . . . 10.0 113.134 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -153.1 110.68 3.55 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.565 -0.374 . . . . 10.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.639 ' HA ' ' CB ' ' H' ' 27' ' ' ASN . 23.9 t-20 -64.77 152.21 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.535 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' H' ' 28' ' ' LYS . 59.2 tttp -131.65 -50.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.465 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 113.18 122.45 3.92 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.162 -1.018 . . . . 10.0 112.722 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.775 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -93.36 166.91 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.768 0.318 . . . . 10.0 111.022 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' O' ' 39' ' ' VAL . 0.0 OUTLIER -106.39 90.22 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 179.156 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' F' ' 32' ' ' ILE . 13.3 mt -107.73 116.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.189 0.518 . . . . 10.0 111.396 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 102.63 1.09 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.708 -0.758 . . . . 10.0 111.591 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.787 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 5.6 mp -89.36 68.58 7.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.949 0.404 . . . . 10.0 110.758 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.474 ' HA ' ' HB2' ' F' ' 35' ' ' MET . 6.0 ptp -81.17 80.07 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.844 0.831 . . . . 10.0 110.208 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' H' ' 36' ' ' VAL . 42.0 t -105.23 111.64 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.413 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.89 118.63 3.51 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.636 -0.792 . . . . 10.0 111.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 121.09 3.97 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.701 -0.761 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.976 HG12 ' HB ' ' F' ' 39' ' ' VAL . 35.9 m -124.76 155.0 32.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.264 0.554 . . . . 10.0 111.68 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' F' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.565 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.838 HG11 ' HA ' ' G' ' 11' ' ' GLU . 2.9 m -64.19 136.9 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.877 0.37 . . . . 10.0 110.837 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.26 123.5 18.36 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.882 1.067 . . . . 10.0 113.882 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -121.13 98.95 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.141 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.36 143.68 33.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.939 0.399 . . . . 10.0 111.091 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -152.89 116.37 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.628 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.64 119.09 33.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.696 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.32 117.69 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -118.11 144.79 45.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 10.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -125.26 120.96 32.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.623 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.7 81.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.719 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.704 ' HB3' ' HG2' ' G' ' 22' ' ' GLU . 0.0 OUTLIER -109.84 151.26 27.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.197 -179.288 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.585 ' OD1' ' HA ' ' G' ' 23' ' ' ASP . 0.6 OUTLIER -135.64 155.86 49.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.103 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 21.7 t -120.47 -33.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.337 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -93.78 -75.91 1.31 Allowed Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.497 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -136.29 133.56 37.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.639 ' CB ' ' HA ' ' G' ' 27' ' ' ASN . 9.1 t-20 -74.58 147.94 41.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' G' ' 28' ' ' LYS . 21.5 mtpt -130.89 -172.3 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.132 0.492 . . . . 10.0 111.64 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.775 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -108.19 92.6 0.75 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.459 -0.792 . . . . 10.0 112.358 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.14 139.31 42.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.452 HG12 HD12 ' G' ' 31' ' ' ILE . 4.2 mt -98.05 107.61 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -125.44 113.04 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 10.0 111.469 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.01 99.33 1.51 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.286 -0.726 . . . . 10.0 111.286 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.787 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.6 mm? -84.08 69.98 10.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 10.0 111.493 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.441 ' HE3' ' HG3' ' G' ' 35' ' ' MET . 4.5 tpt -79.34 87.05 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.826 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' G' ' 36' ' ' VAL . 38.7 t -109.65 112.86 42.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.408 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.876 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -121.79 126.2 6.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 10.0 111.459 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.46 138.7 10.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.047 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 m -135.35 155.44 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.581 0.229 . . . . 10.0 110.478 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.59 HG13 ' HB ' ' G' ' 40' ' ' VAL . 2.9 p -167.54 140.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.962 -0.385 . . . . 10.0 109.962 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.55 133.34 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.152 -0.314 . . . . 10.0 110.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.479 -0.772 . . . . 10.0 110.039 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.551 ' HA ' HG22 ' J' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.954 0.407 . . . . 10.0 110.689 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.81 156.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -79.94 107.25 12.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.285 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.72 91.45 5.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.344 0.592 . . . . 10.0 110.616 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -106.86 123.45 48.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.392 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -130.41 127.82 40.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.29 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' J' ' 17' ' ' LEU . 3.3 mp -126.22 121.23 32.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -143.48 128.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.355 0.598 . . . . 10.0 112.229 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.71 107.16 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.361 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -89.98 86.82 6.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 116.41 29.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.949 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 47.4 mm-40 -81.43 157.13 25.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.2 0.524 . . . . 10.0 111.476 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.06 107.28 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.926 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 13.0 t -136.77 -33.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.775 -0.37 . . . . 10.0 111.477 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -108.98 -151.86 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.453 -0.879 . . . . 10.0 113.12 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.8 OUTLIER -64.66 121.61 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 146.62 54.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.761 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.2 mtpt -156.16 -179.06 7.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.199 -0.91 . . . . 10.0 109.09 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.09 141.26 16.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.159 -1.02 . . . . 10.0 113.08 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.43 130.77 42.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.762 0.315 . . . . 10.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' J' ' 31' ' ' ILE . 12.8 mt -89.77 97.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' J' ' 32' ' ' ILE . 10.2 mt -117.35 136.05 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.432 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG11 ' A' ' 39' ' ' VAL . . . -115.99 115.02 3.25 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.461 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.49 88.63 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 10.0 111.845 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.47 12.53 37.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.627 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' J' ' 36' ' ' VAL . 12.5 m -63.39 145.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.427 -0.806 . . . . 10.0 111.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 173.66 -163.41 34.63 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.927 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.52 160.45 21.96 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.814 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.673 HG13 HG23 ' J' ' 39' ' ' VAL . 2.7 p -145.12 120.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.404 0.621 . . . . 10.0 111.153 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' J' ' 40' ' ' VAL . 10.7 t -127.01 157.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 pt -65.21 112.06 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 10.0 111.309 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.595 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.829 0.347 . . . . 10.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' K' ' 12' ' ' VAL . 18.8 t -93.27 93.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.05 117.96 16.45 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.881 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.71 98.29 7.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.894 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HG2' HD11 ' J' ' 17' ' ' LEU . 5.0 tt0 -113.72 106.35 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.482 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -115.02 109.06 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.79 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.2 mp -107.73 99.91 9.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.764 ' HB ' HG12 ' K' ' 18' ' ' VAL . 14.0 t -112.73 119.87 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.09 0.471 . . . . 10.0 110.838 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -110.51 126.02 53.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.998 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -140.94 99.83 3.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.949 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.2 pt-20 -102.47 90.9 4.02 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.694 0.627 . . . . 10.0 112.694 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 1.0 OUTLIER -76.19 84.12 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.046 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 31.9 t -86.56 -15.18 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.254 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -67.52 0.88 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.171 -1.014 . . . . 10.0 110.965 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 73.8 m -157.07 118.43 3.71 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' I' ' 26' ' ' SER . 9.6 m120 -62.92 146.5 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.237 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.761 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 2.1 ttmt -144.88 -28.72 0.47 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.619 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.78 125.78 3.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.354 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.55 156.19 17.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.879 HG21 ' HB ' ' B' ' 41' ' ' ILE . 2.4 tp -102.62 92.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.708 0.766 . . . . 10.0 109.533 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' I' ' 32' ' ' ILE . 11.5 mm -106.58 131.91 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.433 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' B' ' 39' ' ' VAL . . . -123.97 116.15 2.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.862 -0.895 . . . . 10.0 110.862 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 mt -111.48 106.68 15.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.866 0.333 . . . . 10.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.93 43.19 2.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.453 0.644 . . . . 10.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 46.5 t -79.27 110.97 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.345 -0.843 . . . . 10.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.68 142.95 11.13 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.684 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.64 148.57 19.69 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.97 -0.633 . . . . 10.0 111.72 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' K' ' 39' ' ' VAL . 4.5 p -131.76 130.91 62.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.965 0.412 . . . . 10.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.799 ' HB ' HG13 ' I' ' 40' ' ' VAL . 54.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.286 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.542 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 49.5 mm-40 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -128.35 103.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -74.16 100.85 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -93.31 106.55 18.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.95 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.72 100.39 6.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.526 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 82.3 tttt -110.71 129.97 55.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.338 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' L' ' 17' ' ' LEU . 1.4 mt -128.89 110.24 11.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.764 HG12 ' HB ' ' J' ' 18' ' ' VAL . 2.7 m -125.71 129.44 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.309 0.576 . . . . 10.0 112.073 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.83 121.0 35.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.04 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -108.48 101.34 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' J' ' 21' ' ' ALA . . . -106.84 112.32 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 68.6 mt-10 -113.49 115.85 28.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.521 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.1 t70 -100.68 124.48 46.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.921 0.391 . . . . 10.0 110.185 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.93 5.24 5.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.004 0.431 . . . . 10.0 110.077 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.94 -67.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.569 -0.824 . . . . 10.0 113.242 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -163.26 94.02 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 27' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.5 t30 -64.2 145.76 55.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 10.0 111.548 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 44.5 tttm -130.31 -10.35 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 140.14 7.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.52 156.58 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.743 HG23 ' HB ' ' L' ' 31' ' ' ILE . 0.2 OUTLIER -100.37 113.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.493 0.663 . . . . 10.0 111.702 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.7 mt -124.8 123.14 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.547 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 33' ' ' GLY . . . . . 0.793 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -121.06 127.83 7.14 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.632 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.612 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 10.4 mp -108.08 93.9 4.78 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.526 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 1.8 mpt? -96.76 48.49 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.169 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' L' ' 36' ' ' VAL . 17.0 t -83.66 106.14 13.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.411 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 37' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -131.25 148.17 18.81 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.338 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.37 154.28 25.86 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.775 HG22 HD12 ' C' ' 31' ' ' ILE . 7.5 p -139.59 127.08 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.867 0.365 . . . . 10.0 110.516 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' L' ' 40' ' ' VAL . 46.4 t -127.27 143.24 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.819 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' C' ' 31' ' ' ILE . 16.3 tt -66.89 142.09 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.86 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.729 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 11' ' ' GLU . . . . . 0.987 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 49.9 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.243 0.068 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.614 HG22 ' H ' ' L' ' 13' ' ' HIS . 3.6 p -147.44 172.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 10.0 112.181 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.614 ' H ' HG22 ' L' ' 12' ' ' VAL . 2.8 t60 -92.66 136.81 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.143 0.497 . . . . 10.0 112.112 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -130.23 88.55 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -113.2 129.39 56.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.372 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 36.5 ttpt -137.82 121.4 17.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' K' ' 17' ' ' LEU . 6.8 mp -112.33 119.65 39.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.614 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' M' ' 18' ' ' VAL . 14.7 t -124.08 115.24 44.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.349 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -116.19 127.29 54.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 25.8 m-85 -109.71 129.17 55.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.192 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 90.84 2.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.85 91.16 4.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.386 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.427 ' HB3' ' OD1' ' L' ' 27' ' ' ASN . 1.3 m-20 -90.2 90.88 8.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.394 0.616 . . . . 10.0 110.89 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 59.4 t -80.35 -19.79 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.788 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.07 -139.15 9.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.181 -1.009 . . . . 10.0 112.146 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 120.78 26.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.516 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 2.3 m-20 -78.44 152.48 32.12 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 0.9 OUTLIER -138.03 -32.64 0.73 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.932 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.65 114.98 3.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.263 -0.97 . . . . 10.0 114.583 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.604 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -97.3 177.64 5.49 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.911 HD11 ' HB ' ' D' ' 39' ' ' VAL . 2.3 tt -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 10.0 112.279 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.44 122.14 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.432 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -110.73 107.92 2.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.561 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -95.22 75.04 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.745 0.307 . . . . 10.0 110.792 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.996 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.2 mpp? -89.11 75.14 7.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.37 0.605 . . . . 10.0 110.387 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 20.1 t -106.62 130.31 58.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.331 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.716 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.49 165.79 27.43 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.086 -1.054 . . . . 10.0 112.858 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.16 137.25 4.56 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 1.008 HG13 HG12 ' M' ' 39' ' ' VAL . 0.4 OUTLIER -137.16 138.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.234 0.517 . . . . 10.0 112.246 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 70.7 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.438 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 11' ' ' GLU . . . . . 0.987 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 37.7 mm-40 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.615 0.721 . . . . 10.0 110.118 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.417 HG12 ' H ' ' L' ' 12' ' ' VAL . 28.5 m -107.88 143.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.162 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.09 102.06 12.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.48 114.48 26.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.563 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -124.09 105.37 9.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.074 0.464 . . . . 10.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.48 120.58 41.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.88 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.421 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 22.8 mt -121.2 110.88 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.4 m -125.38 126.15 70.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -122.95 120.18 32.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.5 -0.773 . . . . 10.0 108.929 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 71.4 m-85 -109.98 108.35 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.62 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.72 119.22 37.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.33 119.2 31.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.69 133.9 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.525 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.4 t -127.41 16.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.97 -72.08 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.167 -1.016 . . . . 10.0 113.531 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -157.59 99.79 1.75 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.637 -0.331 . . . . 10.0 111.576 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 27' ' ' ASN . . . . . 0.422 HD22 ' CG ' ' L' ' 23' ' ' ASP . 28.0 t-20 -69.32 149.66 48.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.523 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 4.5 mttp -121.13 -91.09 0.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.604 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -169.05 71.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.668 -1.253 . . . . 10.0 113.788 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HB1' ' L' ' 30' ' ' ALA . . . -72.48 122.79 21.88 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 1.002 HD11 HG23 ' D' ' 39' ' ' VAL . 13.6 tt -97.47 119.75 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 121.61 0.719 . . . . 10.0 112.644 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.819 HG22 ' HB ' ' N' ' 32' ' ' ILE . 7.0 pt -120.23 130.54 74.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.966 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 1.075 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -122.43 125.6 6.1 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.496 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.6 mp -108.58 82.76 1.66 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.125 0.488 . . . . 10.0 110.352 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.896 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 5.4 mpp? -91.3 91.82 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.912 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.486 HG13 HG13 ' L' ' 36' ' ' VAL . 1.5 p -128.58 125.94 64.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.87 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -149.94 173.57 29.62 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.813 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.82 147.1 9.17 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.16 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 1.008 HG12 HG13 ' L' ' 39' ' ' VAL . 35.7 m -128.15 133.03 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' N' ' 40' ' ' VAL . 25.4 m -146.24 166.68 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 10.0 111.656 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.479 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.6 mm -142.54 126.51 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.107 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 11' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' O' ' 12' ' ' VAL . 10.3 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.488 0.661 . . . . 10.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.409 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.0 OUTLIER -72.95 138.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.334 -0.848 . . . . 10.0 111.696 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 126.78 30.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.814 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -117.82 97.89 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.303 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -100.45 125.31 46.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.353 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -128.89 98.69 5.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.458 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.7 mp -105.5 114.55 28.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.725 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 5.4 t -119.35 117.39 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.245 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.99 121.2 37.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.555 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.84 130.57 54.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.97 96.05 3.33 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -107.07 99.08 8.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.315 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.679 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 11.2 m-20 -99.17 101.96 13.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.153 0.501 . . . . 10.0 110.797 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.41 -22.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.077 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 25' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.36 -83.7 1.73 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.372 -0.918 . . . . 10.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -161.03 124.35 3.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.559 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 30.0 p30 -95.9 155.28 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.103 0.477 . . . . 10.0 111.561 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 99.0 mttt -112.16 -88.92 0.52 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.537 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -153.1 79.68 0.19 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.968 -1.111 . . . . 10.0 113.275 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.23 118.45 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.847 -0.798 . . . . 10.0 108.847 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.846 HG12 HG23 ' M' ' 31' ' ' ILE . 0.2 OUTLIER -96.31 113.23 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.941 0.877 . . . . 10.0 112.41 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.819 ' HB ' HG22 ' M' ' 32' ' ' ILE . 74.6 mt -110.3 106.97 21.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.89 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -104.01 118.62 6.04 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.558 -0.83 . . . . 10.0 112.911 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' M' ' 34' ' ' LEU . 75.7 mt -106.17 115.55 30.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.72 -0.845 . . . . 10.0 108.72 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.49 ' O ' ' HA ' ' O' ' 35' ' ' MET . 7.2 mtm -127.18 96.26 4.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 2.2 p -130.47 128.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.256 0.55 . . . . 10.0 111.889 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.664 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -140.84 138.95 9.26 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.414 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.13 154.17 20.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.612 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 15.4 m -137.61 134.26 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.808 0.337 . . . . 10.0 111.675 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.732 ' HB ' HG12 ' M' ' 40' ' ' VAL . 54.2 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.762 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.576 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 49.3 mt-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.2 0.524 . . . . 10.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' N' ' 11' ' ' GLU . 19.1 m -91.96 -173.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -114.69 104.92 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.014 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -91.22 107.87 19.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.71 99.83 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -111.04 113.32 25.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.437 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.603 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -113.59 112.75 24.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 5.1 p -133.54 123.44 46.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.448 0.642 . . . . 10.0 112.471 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -120.8 128.25 52.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.531 -0.758 . . . . 10.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -106.47 110.85 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.0 110.95 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.54 125.9 50.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.961 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 0.8 OUTLIER -110.35 145.42 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.021 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.499 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 3.1 t -133.59 7.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.202 0.525 . . . . 10.0 109.823 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.76 -80.23 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.123 -1.036 . . . . 10.0 113.26 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.73 99.26 3.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.751 0.276 . . . . 10.0 111.07 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.911 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 47.7 t30 -88.55 107.65 19.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 10.0 111.16 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.592 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 2.4 tttm -78.36 -33.73 48.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.31 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 125.34 5.61 Favored Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.57 -0.741 . . . . 10.0 113.526 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.582 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -97.79 157.27 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.525 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -104.37 125.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.285 0.564 . . . . 10.0 110.029 178.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.82 124.21 71.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.099 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -113.26 104.71 1.56 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.788 -0.72 . . . . 10.0 111.959 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.91 85.55 2.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.848 0.356 . . . . 10.0 110.226 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.543 ' O ' ' HA ' ' P' ' 35' ' ' MET . 0.0 OUTLIER -102.24 95.58 6.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.294 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' N' ' 36' ' ' VAL . 25.6 m -126.03 166.61 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.265 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.18 -171.07 43.35 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.696 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.86 158.66 21.76 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.081 -1.056 . . . . 10.0 113.173 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 31' ' ' ILE . 2.7 m -119.37 150.84 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.706 HG13 HG22 ' N' ' 40' ' ' VAL . 2.3 p -163.74 136.09 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.892 0.377 . . . . 10.0 111.251 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.07 101.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.416 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 11' ' ' GLU . . . . . 0.576 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.054 0.454 . . . . 10.0 110.558 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.21 120.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.148 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -85.99 124.78 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.9 0.381 . . . . 10.0 110.837 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -114.04 96.67 5.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.518 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -110.74 114.03 27.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.887 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -130.35 115.91 17.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 10.0 111.179 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.415 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.7 mp -111.14 100.5 9.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.081 -0.508 . . . . 10.0 109.723 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 t -110.22 116.33 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.325 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -121.92 142.76 49.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.765 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.83 116.47 27.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.862 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.82 77.71 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.509 . . . . 10.0 110.495 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.0 133.21 53.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.142 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 2.3 t0 -137.3 143.11 41.95 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.762 -0.459 . . . . 10.0 109.762 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 28.4 m -106.52 8.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.236 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.21 0.97 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.506 -0.854 . . . . 10.0 111.56 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -107.77 98.48 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.938 0.399 . . . . 10.0 110.191 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.911 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -75.7 72.09 2.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.524 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' O' ' 28' ' ' LYS . 13.8 mmmm -63.33 -52.14 63.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.03 0.443 . . . . 10.0 110.498 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 82.49 147.21 6.48 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.542 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.62 -161.58 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' G' ' 40' ' ' VAL . 1.7 tt -114.44 120.2 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.054 0.454 . . . . 10.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.48 126.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.83 115.05 3.6 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.161 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.21 85.31 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.793 0.33 . . . . 10.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.876 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 0.0 OUTLIER -100.49 96.45 7.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.92 106.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 10.0 111.177 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.426 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -124.12 169.95 16.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.008 -0.615 . . . . 10.0 111.576 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.15 159.42 29.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' O' ' 39' ' ' VAL . 19.4 m -126.83 133.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 10.0 110.604 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' O' ' 40' ' ' VAL . 90.4 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' HG22 ' B' ' 12' ' ' VAL . 3.2 mm-40 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.03 -0.359 . . . . 10.0 110.03 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 t -110.75 154.93 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 10.0 112.431 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.45 100.58 12.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.182 -0.917 . . . . 10.0 108.791 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -89.4 98.44 11.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 36.5 tt0 -118.22 117.53 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.479 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.72 111.35 14.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.039 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -111.08 108.96 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -124.46 134.36 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.451 0.643 . . . . 10.0 112.614 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.78 108.21 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.633 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.53 114.41 26.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.93 112.7 19.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.328 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 76.2 mm-40 -82.35 151.68 26.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.959 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.91 102.67 5.72 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.365 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 17.1 t -125.05 -27.15 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 10.0 110.59 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.14 -150.51 15.34 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.829 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -68.01 126.06 28.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.768 0.284 . . . . 10.0 110.266 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.19 157.1 32.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.396 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 2.0 mttm -165.54 -153.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.284 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.17 136.58 7.35 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.151 -1.023 . . . . 10.0 113.212 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -94.61 153.43 17.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 10.0 110.426 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 mm -100.24 86.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.677 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB ' ' B' ' 32' ' ' ILE . 9.6 pt -113.22 129.63 68.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 10.0 112.079 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.99 121.0 4.15 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.489 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' B' ' 34' ' ' LEU . 43.4 mt -102.5 110.46 22.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.633 0.254 . . . . 10.0 111.061 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -119.7 24.01 10.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.315 0.579 . . . . 10.0 109.65 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' B' ' 36' ' ' VAL . 9.7 t -69.93 126.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.262 -0.881 . . . . 10.0 110.548 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -163.38 147.85 13.86 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.276 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 139.74 9.64 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.659 HG13 HG23 ' B' ' 39' ' ' VAL . 5.4 p -136.73 126.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.529 . . . . 10.0 110.977 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.221 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 121.342 0.591 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -99.11 90.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.483 -0.932 . . . . 10.0 108.483 179.004 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.517 ' HA ' ' HB3' ' C' ' 13' ' ' HIS . 48.7 t-80 -74.2 107.51 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.877 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.68 95.12 5.68 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 5.0 tt0 -113.55 102.23 10.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.341 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 17.0 ptmt -114.97 121.23 42.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.277 0.56 . . . . 10.0 111.503 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.655 HD13 ' HG ' ' A' ' 17' ' ' LEU . 3.5 mp -114.48 108.25 16.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.077 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.457 HG13 HG23 ' A' ' 18' ' ' VAL . 5.1 t -115.83 118.93 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.697 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.33 124.46 50.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.284 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -110.47 120.18 41.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 99.96 5.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.815 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 44.6 mt-10 -101.23 86.07 2.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.861 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' C' ' 23' ' ' ASP . 1.5 m-20 -78.98 89.29 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.949 0.404 . . . . 10.0 110.606 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 26.0 t -91.54 -15.93 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.32 -60.35 0.86 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.504 -0.855 . . . . 10.0 111.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -167.52 120.44 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.59 -0.305 . . . . 10.0 110.422 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.457 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 8.6 m120 -65.28 150.0 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.68 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 4.3 tppt? -141.24 -91.96 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.16 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 169.9 99.84 0.13 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.795 -1.193 . . . . 10.0 113.017 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.46 149.47 21.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.885 HD12 HG22 ' J' ' 39' ' ' VAL . 1.0 OUTLIER -99.26 121.01 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.62 0.724 . . . . 10.0 110.426 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.727 ' HB ' HG22 ' A' ' 32' ' ' ILE . 53.5 mt -130.73 122.36 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.047 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.04 122.06 5.43 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.927 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' A' ' 34' ' ' LEU . 3.4 mm? -104.18 85.71 2.43 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.14 45.27 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.683 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.693 ' HB ' HG13 ' A' ' 36' ' ' VAL . 8.2 t -83.42 104.63 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.368 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -127.83 134.07 8.08 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.781 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.06 130.53 6.28 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.571 -0.612 . . . . 10.0 111.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.991 HG22 HD11 ' J' ' 31' ' ' ILE . 1.9 p -128.01 133.62 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.065 0.459 . . . . 10.0 111.083 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.626 HG22 ' HB ' ' C' ' 40' ' ' VAL . 93.6 t -134.69 135.48 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.137 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.886 ' HB ' HG21 ' J' ' 31' ' ' ILE . 13.6 tt -64.72 118.85 7.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.105 0.479 . . . . 10.0 111.357 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.939 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.01 0.434 . . . . 10.0 111.209 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -95.62 108.54 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.517 ' HB3' ' HA ' ' B' ' 13' ' ' HIS . 21.7 t60 -80.45 94.02 6.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -89.27 100.11 12.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.027 0.441 . . . . 10.0 112.008 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -116.07 104.75 11.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.418 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -113.24 121.46 44.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.719 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.0 109.07 15.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 9.1 p -131.95 128.77 60.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.629 0.728 . . . . 10.0 112.382 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.61 126.79 47.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.992 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.41 111.33 23.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.51 107.05 14.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -106.34 121.34 44.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.42 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 23' ' ' ASP . 1.6 t0 -108.78 120.46 42.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.19 10.43 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.947 0.403 . . . . 10.0 110.076 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.529 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -135.56 -65.12 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.514 -0.85 . . . . 10.0 113.02 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 92.34 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.596 0.198 . . . . 10.0 110.645 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 63.1 t30 -62.56 145.58 54.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 79.4 tttt -125.48 -102.67 0.36 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.6 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.84 109.54 0.38 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.548 -1.311 . . . . 10.0 113.573 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.44 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.809 HD12 HG22 ' K' ' 39' ' ' VAL . 1.4 pt -108.62 119.67 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.501 0.667 . . . . 10.0 111.203 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.28 102.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.776 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.53 106.18 2.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.653 -0.785 . . . . 10.0 111.555 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 5.5 mp -96.06 80.39 3.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.082 0.468 . . . . 10.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.831 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.6 mpp? -91.13 63.12 4.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.867 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 41.3 t -95.74 126.58 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.497 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.975 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -143.67 164.16 27.46 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.172 -1.013 . . . . 10.0 112.95 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.72 147.36 17.79 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.493 -0.643 . . . . 10.0 111.493 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.951 HG21 ' HA3' ' K' ' 33' ' ' GLY . 2.2 t -136.63 127.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 10.0 110.773 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG22 ' B' ' 40' ' ' VAL . 53.6 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.047 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.675 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 35.1 mt-10 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 111.36 0.133 . . . . 10.0 111.36 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.0 p -141.01 164.0 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.471 -0.492 . . . . 10.0 111.944 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.421 ' H ' HG22 ' D' ' 12' ' ' VAL . 6.3 t60 -88.79 129.7 35.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.866 0.365 . . . . 10.0 111.727 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.47 87.86 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.79 130.06 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 10.0 111.793 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -130.65 121.94 26.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.26 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.66 110.59 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.472 -0.785 . . . . 10.0 109.71 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.731 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.8 t -120.17 114.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.372 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -116.53 127.41 54.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.9 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.08 122.07 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.64 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.29 97.32 5.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.0 94.99 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.31 94.4 8.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 41.3 t -87.79 -28.16 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -90.82 -103.17 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.346 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -121.84 110.46 15.91 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -66.32 150.69 48.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.869 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 34.2 tttm -139.9 -51.42 0.5 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.795 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.27 125.97 3.02 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.139 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.58 165.42 11.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 1.008 HD11 HG23 ' E' ' 31' ' ' ILE . 9.4 pt -106.28 113.22 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.657 0.741 . . . . 10.0 110.948 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.484 HG12 HD12 ' E' ' 32' ' ' ILE . 23.2 mt -116.63 112.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.158 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.778 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -107.46 112.56 3.73 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.757 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -101.73 80.13 2.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.6 mpp? -97.45 81.75 3.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 10.0 110.531 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' C' ' 36' ' ' VAL . 25.4 t -108.71 116.38 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.534 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 1.093 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -134.62 124.6 3.52 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.1 -1.048 . . . . 10.0 112.931 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.08 132.13 6.7 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.428 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 1.082 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.4 m -133.4 149.98 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.765 0.316 . . . . 10.0 111.198 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.688 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.4 p -147.25 143.67 19.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.817 0.341 . . . . 10.0 111.127 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.92 127.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.73 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.351 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.743 ' HA ' HG22 ' F' ' 12' ' ' VAL . 1.9 mp0 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.654 0.74 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.425 HG12 ' H ' ' D' ' 12' ' ' VAL . 26.8 m -90.16 158.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.961 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -96.2 101.4 13.04 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.293 -1.002 . . . . 10.0 108.293 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.51 106.19 18.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.177 0.513 . . . . 10.0 111.128 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -116.11 107.16 14.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.989 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -114.99 116.57 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.341 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.36 112.67 23.43 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.9 OUTLIER -127.03 124.69 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.361 0.601 . . . . 10.0 112.374 -179.029 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -123.18 123.54 41.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.568 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -109.18 107.34 17.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.572 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 112.35 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.31 119.46 22.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.868 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.502 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 3.1 t70 -115.89 132.52 56.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 10.0 110.197 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.696 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -119.86 32.78 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.374 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.2 -74.19 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.68 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -151.91 115.86 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.475 -0.426 . . . . 10.0 110.523 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -84.39 144.66 28.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.869 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 10.4 mttm -125.89 -54.39 1.52 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.873 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.422 ' O ' ' HA3' ' F' ' 29' ' ' GLY . . . 134.09 119.32 1.96 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.026 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -93.28 161.79 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.112 0.165 . . . . 10.0 110.653 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 1.008 HG23 HD11 ' D' ' 31' ' ' ILE . 7.3 mt -106.43 86.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.484 HD12 HG12 ' D' ' 32' ' ' ILE . 5.4 mt -100.15 111.02 28.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.275 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.427 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -116.83 99.67 0.86 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 10.0 113.266 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -92.91 90.98 7.2 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.51 75.14 1.0 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.408 0.623 . . . . 10.0 110.552 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.9 m -103.52 140.56 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.871 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -144.17 157.76 27.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.145 -1.026 . . . . 10.0 112.71 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.24 131.26 4.0 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.201 -0.76 . . . . 10.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 1.029 HG21 ' HA3' ' M' ' 33' ' ' GLY . 54.3 t -130.33 121.87 52.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 10.0 111.898 -179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG23 ' D' ' 40' ' ' VAL . 86.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.76 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.968 ' HB ' HG12 ' G' ' 12' ' ' VAL . 2.8 t -113.84 108.95 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 125.1 31.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.454 0.538 . . . . 10.0 112.454 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -126.1 94.55 4.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.146 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.8 tt0 -111.65 124.98 53.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.488 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -133.49 128.29 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.197 0.523 . . . . 10.0 111.863 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 8.0 mp -115.56 114.12 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.342 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' G' ' 18' ' ' VAL . 29.9 t -117.08 113.94 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.347 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.96 124.08 47.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.621 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.57 129.9 54.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.608 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.23 86.55 2.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -98.39 100.24 11.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.448 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.823 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 9.8 m-20 -100.44 101.93 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.02 0.438 . . . . 10.0 110.881 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' G' ' 24' ' ' VAL . 7.6 m -94.15 0.54 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 10.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.48 -63.76 0.38 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.829 -0.7 . . . . 10.0 111.731 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.7 p 176.64 118.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 1.047 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 25.4 p30 -82.11 140.92 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.0 OUTLIER -105.38 -30.28 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.13 -0.941 . . . . 10.0 108.809 178.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 114.61 114.09 3.02 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.891 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.494 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -97.87 150.7 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.643 ' HB ' HD12 ' E' ' 31' ' ' ILE 0.259 12.0 tt -101.46 109.04 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.769 0.795 . . . . 10.0 112.183 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.521 HG12 HD12 ' G' ' 32' ' ' ILE . 29.6 mt -113.15 116.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.757 -1.11 . . . . 10.0 109.974 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.21 111.98 3.47 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.595 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.4 mm? -96.19 74.44 2.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.488 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.4 mpt? -88.65 69.55 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.035 0.445 . . . . 10.0 110.106 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' E' ' 36' ' ' VAL . 42.4 t -100.77 119.65 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.007 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.422 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.33 148.87 18.44 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.811 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -140.42 144.76 15.28 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.43 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 1.027 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.1 t -144.44 141.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 122.155 0.182 . . . . 10.0 111.208 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.527 HG23 HG13 ' G' ' 40' ' ' VAL . 7.3 p -152.63 161.67 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.43 152.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 10.0 110.79 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.434 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.902 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--O 1.233 0.237 0 CA-C-O 121.312 0.577 . . . . 10.0 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.968 HG12 ' HB ' ' F' ' 12' ' ' VAL . 14.2 m -112.59 129.2 68.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.699 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -88.66 108.85 19.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.591 -1.263 . . . . 10.0 107.591 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -96.67 124.47 40.67 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.177 -0.465 . . . . 10.0 112.029 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HG3' ' F' ' 15' ' ' GLN . 2.1 tp60 -128.57 97.96 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -111.72 119.07 37.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.835 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.516 HD13 HD23 ' G' ' 34' ' ' LEU . 47.9 mt -117.76 106.08 12.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.3 m -119.95 123.44 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.422 0.629 . . . . 10.0 112.339 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' H' ' 19' ' ' PHE . 31.5 m-85 -124.93 121.22 33.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.411 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.4 109.77 21.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 10.0 111.618 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.69 115.99 27.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.841 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -117.92 134.83 54.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.194 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.823 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.0 OUTLIER -108.45 143.11 37.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.513 ' HA ' HG22 ' F' ' 24' ' ' VAL . 77.4 t -129.58 -34.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.858 0.361 . . . . 10.0 110.713 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -109.97 -67.05 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.343 -0.932 . . . . 10.0 112.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 21.2 m -153.12 112.38 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.615 0.245 . . . . 10.0 110.658 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 1.047 ' HB3' ' HA ' ' F' ' 27' ' ' ASN . 18.6 t-20 -65.35 144.17 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.605 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -121.43 -54.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.661 0.267 . . . . 10.0 110.337 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.494 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 120.95 114.58 2.37 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.056 -1.068 . . . . 10.0 112.864 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.865 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -91.37 170.3 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.521 0.201 . . . . 10.0 111.183 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.598 HD13 HG12 ' O' ' 41' ' ' ILE . 0.4 OUTLIER -107.03 90.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 179.09 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.619 HG12 HD12 ' H' ' 32' ' ' ILE . 7.3 mt -101.81 104.22 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.291 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.63 105.33 2.01 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.668 -0.777 . . . . 10.0 111.961 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.714 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 6.5 mp -93.7 74.28 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.921 0.391 . . . . 10.0 110.743 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.447 ' O ' ' HE3' ' H' ' 35' ' ' MET . 2.2 ptp -81.5 76.36 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.123 0.963 . . . . 10.0 109.685 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.456 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 40.9 t -94.3 111.26 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.592 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.74 123.04 5.68 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.521 -0.847 . . . . 10.0 111.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -133.61 112.77 1.12 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.514 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 1.027 HG12 ' HB ' ' F' ' 39' ' ' VAL . 27.0 m -127.29 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.313 0.578 . . . . 10.0 111.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' P' ' 31' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.173 -0.921 . . . . 10.0 110.625 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.556 0.217 . . . . 10.0 110.451 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.53 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -66.21 132.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.986 179.086 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -70.84 133.19 46.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -116.16 101.4 8.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.112 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.45 129.68 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.721 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -139.05 115.52 10.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.77 117.25 30.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 t -116.71 123.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.466 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' G' ' 19' ' ' PHE . 23.5 m-85 -127.25 137.92 52.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.843 0.354 . . . . 10.0 110.495 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -114.57 132.72 56.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.754 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -141.64 87.12 2.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.43 136.36 46.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' G' ' 23' ' ' ASP . 5.1 t70 -100.54 151.64 21.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.815 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -126.02 -34.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 10.0 109.947 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -132.53 -51.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.006 -0.616 . . . . 10.0 113.028 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -143.07 110.79 5.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.504 -0.409 . . . . 10.0 110.421 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.564 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -65.9 151.12 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.86 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.672 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 35.4 tttp -136.53 -178.59 5.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.603 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.865 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -101.26 92.18 1.01 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.296 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.5 139.22 40.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.589 HD11 HG23 ' P' ' 39' ' ' VAL . 9.6 tt -84.21 112.96 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.619 HD12 HG12 ' G' ' 32' ' ' ILE . 8.8 mt -126.56 107.01 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.878 0.371 . . . . 10.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.72 106.54 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 111.405 -0.678 . . . . 10.0 111.405 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.714 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.2 mm? -96.77 79.1 2.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.278 . . . . 10.0 111.152 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.447 ' HE3' ' O ' ' G' ' 35' ' ' MET . 7.2 tpt -84.95 91.81 8.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.22 0.533 . . . . 10.0 110.067 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 51.4 t -98.6 122.87 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.256 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -118.98 105.65 1.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.817 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.73 125.61 6.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 2.4 m -136.31 147.37 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.78 153.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 pt -94.09 156.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.656 0.265 . . . . 10.0 110.74 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.446 -0.788 . . . . 10.0 110.221 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' J' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.436 0.636 . . . . 10.0 110.236 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.93 162.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.929 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -90.54 95.27 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.901 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -87.2 86.69 7.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.181 0.515 . . . . 10.0 110.613 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -105.34 109.42 21.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.563 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -114.84 115.72 27.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.26 116.96 28.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.62 135.29 30.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -116.55 114.9 24.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.164 -0.926 . . . . 10.0 109.632 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.38 105.35 17.41 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 115.72 30.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.852 0.358 . . . . 10.0 111.131 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.93 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 72.1 mm-40 -91.35 137.56 32.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.039 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.0 113.27 23.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.713 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.58 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 6.2 t -133.43 -16.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 10.0 110.504 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.79 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.271 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -57.79 129.13 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.749 0.275 . . . . 10.0 110.588 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.41 147.42 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.519 0.199 . . . . 10.0 111.395 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.708 ' HD3' ' HG2' ' J' ' 28' ' ' LYS . 26.8 mtpt -144.72 -105.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.528 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.41 125.23 0.84 Allowed Glycine 0 CA--C 1.517 0.166 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.2 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -89.96 137.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 111.841 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 1.6 mt -86.81 93.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -111.34 126.69 68.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.381 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.2 122.53 5.64 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -109.9 100.16 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.779 0.323 . . . . 10.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -110.26 16.06 21.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.158 0.504 . . . . 10.0 110.291 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.558 HG12 ' HB ' ' J' ' 36' ' ' VAL . 6.4 m -64.36 146.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.334 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 167.95 -169.24 41.24 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.627 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.94 -179.98 47.63 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.478 -0.868 . . . . 10.0 112.251 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.653 HG13 HG23 ' J' ' 39' ' ' VAL . 7.6 p -157.37 132.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.065 0.459 . . . . 10.0 110.544 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' J' ' 40' ' ' VAL . 14.0 t -130.78 158.31 43.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 pt -57.9 142.22 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.444 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 51.4 mt-10 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.965 0.412 . . . . 10.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.536 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.4 t -96.02 108.72 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -83.08 115.04 21.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.201 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.65 92.3 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -108.13 112.01 24.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.534 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -115.14 109.08 17.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.397 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.412 ' HG ' HD12 ' K' ' 17' ' ' LEU . 4.8 mp -108.91 96.15 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' K' ' 18' ' ' VAL . 13.2 t -113.3 117.24 54.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 10.0 111.062 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.95 126.63 55.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -111.33 122.04 46.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.87 101.15 5.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.93 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 1.2 pt-20 -106.59 87.36 2.51 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.709 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -77.13 88.72 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.065 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.58 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 16.9 t -86.95 -14.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.621 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.66 -65.79 0.77 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.306 -0.949 . . . . 10.0 111.889 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 60.4 m -157.78 118.26 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 3.0 m-80 -68.71 146.45 52.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.998 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 15.7 mttp -139.95 -107.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.85 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -157.12 90.24 0.11 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.764 -1.208 . . . . 10.0 113.568 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.6 127.98 33.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.991 HD11 HG22 ' B' ' 39' ' ' VAL . 1.6 tp -92.84 104.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.629 0.728 . . . . 10.0 111.3 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.16 131.75 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.56 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.78 115.25 2.3 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.957 -0.64 . . . . 10.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' K' ' 34' ' ' LEU . 91.4 mt -108.67 99.86 9.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.691 0.282 . . . . 10.0 110.801 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.9 mmt -109.09 35.8 3.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.351 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 15.0 t -75.24 114.22 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.794 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.05 137.22 7.0 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.766 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.66 136.82 9.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 10.0 111.821 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.885 HG22 HD12 ' B' ' 31' ' ' ILE . 3.2 p -124.73 127.12 72.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.162 0.506 . . . . 10.0 110.777 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG13 ' I' ' 40' ' ' VAL . 69.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.675 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' L' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.855 0.359 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.536 HG12 ' HB ' ' J' ' 12' ' ' VAL . 2.7 m -106.39 109.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.305 0.574 . . . . 10.0 112.383 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -77.35 103.04 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 14' ' ' HIS . . . . . 0.422 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 31.4 m170 -94.57 107.76 19.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.054 0.454 . . . . 10.0 111.41 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -121.47 101.24 7.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.372 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -110.09 124.45 51.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.325 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.412 HD12 ' HG ' ' J' ' 17' ' ' LEU . 13.4 mt -125.19 105.52 9.2 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.4 m -124.96 128.13 72.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.386 0.612 . . . . 10.0 112.251 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 60.0 m-85 -125.01 121.75 35.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.619 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.62 112.02 24.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.233 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 110.22 18.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 40.0 mt-10 -109.54 117.51 34.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.797 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.3 t70 -103.39 117.56 34.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.56 -5.76 11.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 121.323 0.582 . . . . 10.0 109.747 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.98 -76.93 0.53 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.754 -0.736 . . . . 10.0 113.013 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -158.33 95.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.262 -0.273 . . . . 10.0 110.262 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.9 t30 -63.5 147.65 50.77 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.144 0.497 . . . . 10.0 112.023 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.998 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 41.9 tttm -127.19 -64.63 0.99 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.738 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.86 110.03 0.38 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.525 -1.321 . . . . 10.0 113.791 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 153.97 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.763 ' HB ' HG23 ' J' ' 31' ' ' ILE . 9.4 tt -108.29 114.48 46.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.525 0.679 . . . . 10.0 112.7 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.475 HG12 HD12 ' L' ' 32' ' ' ILE . 39.0 mt -116.14 112.2 38.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 10.0 109.114 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 33' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -113.96 113.36 3.05 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.387 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.704 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.79 89.23 4.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.107 0.48 . . . . 10.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.975 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.1 mpp? -94.97 57.47 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.515 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 25.8 t -93.54 126.77 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.093 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 37' ' ' GLY . . . . . 0.831 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -149.55 172.69 29.5 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.161 -1.019 . . . . 10.0 112.42 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.54 151.05 19.94 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.819 -0.705 . . . . 10.0 111.741 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.809 HG22 HD12 ' C' ' 31' ' ' ILE . 7.6 p -135.35 126.9 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 110.385 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' L' ' 40' ' ' VAL . 17.5 t -124.37 134.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.698 ' HA ' HG21 ' C' ' 31' ' ' ILE . 19.0 tt -64.88 139.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 10.0 110.973 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.746 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.71 ' H ' HG12 ' M' ' 12' ' ' VAL . 2.0 p -134.15 176.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.707 ' H ' HG22 ' L' ' 12' ' ' VAL . 28.9 t60 -103.81 131.76 50.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.356 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 14' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 42.2 m-70 -124.37 97.58 5.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -114.08 120.27 40.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.107 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -127.94 118.85 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.555 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' K' ' 17' ' ' LEU . 8.4 mp -114.4 114.95 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.557 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.2 t -124.08 114.38 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.949 0.404 . . . . 10.0 110.369 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.438 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 17.9 m-85 -118.21 126.24 51.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.994 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.2 126.43 52.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.49 94.08 3.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -98.79 90.32 4.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.582 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.504 ' HB3' ' OD1' ' L' ' 27' ' ' ASN . 0.8 OUTLIER -89.37 84.5 6.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.308 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 48.1 t -75.93 -31.31 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.197 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.14 -138.66 9.68 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.272 -0.966 . . . . 10.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 121.98 27.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 2.5 m-20 -81.19 151.83 28.0 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.634 ' HA ' ' HD3' ' K' ' 28' ' ' LYS . 14.4 tttm -138.52 -52.48 0.59 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.722 0.296 . . . . 10.0 110.381 177.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.52 117.87 2.11 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.087 -1.054 . . . . 10.0 114.31 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.57 162.57 12.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 1.082 HD11 ' HB ' ' D' ' 39' ' ' VAL . 1.5 tt -112.26 121.65 65.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.478 0.656 . . . . 10.0 112.716 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.525 HG12 HD11 ' M' ' 32' ' ' ILE . 22.4 mt -113.99 116.14 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.747 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.86 108.4 2.73 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.118 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.704 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.3 mm? -98.75 85.15 3.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 35' ' ' MET . . . . . 1.093 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.1 mpp? -100.98 85.54 2.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.376 0.608 . . . . 10.0 110.649 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.582 ' HB ' HG13 ' K' ' 36' ' ' VAL . 12.3 t -115.41 127.82 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.022 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -148.59 128.2 2.75 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.036 -1.078 . . . . 10.0 113.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.09 140.0 11.48 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 10.0 111.6 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 1.03 HG13 HG12 ' M' ' 39' ' ' VAL . 0.9 OUTLIER -131.78 139.93 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 10.0 112.007 -179.422 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' K' ' 40' ' ' VAL . 55.0 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.304 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.394 0.616 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.71 HG12 ' H ' ' L' ' 12' ' ' VAL . 22.0 m -119.88 150.65 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.889 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -84.78 104.86 15.11 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.82 107.86 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.658 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -115.74 103.14 10.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -109.35 117.26 33.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -116.31 109.84 17.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.217 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.6 m -124.86 124.23 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 16.7 m-85 -122.19 125.49 46.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.589 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.99 114.52 27.9 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.82 116.21 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -126.07 116.4 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.351 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -114.84 125.82 54.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.653 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -114.46 15.85 8.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.427 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -137.97 -70.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.262 -0.97 . . . . 10.0 113.399 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.0 m -157.35 98.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.59 -0.359 . . . . 10.0 110.853 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -72.99 133.66 44.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 5.5 tttp -107.39 -76.95 0.6 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.347 . . . . 10.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.65 85.52 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.482 -1.342 . . . . 10.0 114.027 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -83.77 137.23 33.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.415 -0.957 . . . . 10.0 108.415 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.944 HD11 HG23 ' D' ' 39' ' ' VAL . 14.1 tt -101.9 114.48 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.677 0.751 . . . . 10.0 112.727 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.879 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.9 pt -110.86 121.89 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.906 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 1.029 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -116.12 117.25 3.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.943 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.722 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.5 mp -104.1 91.05 3.78 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.063 0.458 . . . . 10.0 109.79 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 7.4 mtm -101.92 93.2 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.513 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 1.3 p -127.16 130.07 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.21 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 37' ' ' GLY . . . . . 0.442 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -150.07 171.72 30.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.615 -0.802 . . . . 10.0 112.168 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.06 145.33 7.81 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.626 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 1.03 HG12 HG13 ' L' ' 39' ' ' VAL . 18.3 m -131.6 138.63 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.538 0.209 . . . . 10.0 110.615 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.974 HG12 ' HB ' ' N' ' 40' ' ' VAL . 30.5 m -146.78 174.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.458 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' M' ' 41' ' ' ILE . 1.0 OUTLIER -143.39 137.39 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.014 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.49 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.17 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 11' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' O' ' 11' ' ' GLU . 12.3 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.158 0.504 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.421 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.6 OUTLIER -71.1 139.96 19.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.408 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 132.21 44.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -122.31 95.79 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.379 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -98.22 128.95 44.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' N' ' 16' ' ' LYS . 12.7 ttmt -129.86 94.5 3.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.841 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.2 mp -100.34 112.56 24.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.562 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 23.2 t -119.77 113.87 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.441 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 19' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 56.8 m-85 -119.96 117.97 29.47 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.842 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.17 130.35 55.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.988 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.03 98.79 3.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.05 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -105.75 105.41 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.568 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.604 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 15.3 m-20 -98.45 103.61 15.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.425 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 62.5 t -82.99 -23.53 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.217 0.532 . . . . 10.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 25' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -101.3 -69.71 0.87 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.432 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -178.2 130.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.604 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.1 p30 -95.43 149.35 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 10.0 111.003 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.623 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 18.6 tttp -106.25 -83.96 0.52 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.537 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -162.57 77.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.144 -1.027 . . . . 10.0 113.037 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.78 135.35 35.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.855 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -106.19 113.96 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.899 0.857 . . . . 10.0 112.362 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.879 ' HB ' HG22 ' M' ' 32' ' ' ILE . 69.9 mt -106.11 103.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.183 -1.044 . . . . 10.0 108.183 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.712 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -99.95 117.0 5.74 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.384 -0.913 . . . . 10.0 112.801 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.722 HD12 ' HG ' ' M' ' 34' ' ' LEU . 81.6 mt -111.78 107.73 16.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' O' ' 35' ' ' MET . 4.8 mtm -122.88 98.59 5.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.8 p -128.85 127.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.438 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.488 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -144.63 130.11 3.81 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.705 -0.759 . . . . 10.0 111.902 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.38 153.79 18.24 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.079 -0.808 . . . . 10.0 111.079 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.75 HG12 HG22 ' M' ' 39' ' ' VAL . 10.6 m -137.23 127.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.108 0.454 . . . . 10.0 111.629 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.974 ' HB ' HG12 ' M' ' 40' ' ' VAL . 43.0 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.965 0.412 . . . . 10.0 111.003 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.666 ' HG2' ' HG3' ' P' ' 11' ' ' GLU . 34.5 mt-10 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.159 0.504 . . . . 10.0 110.261 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -81.77 -179.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.63 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -120.91 104.12 9.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -92.35 110.63 22.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.879 0.371 . . . . 10.0 111.136 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.21 102.65 11.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.663 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 16' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' O' ' 16' ' ' LYS . 1.3 mtpp -102.45 98.65 8.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.001 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.508 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.4 mm? -103.53 110.88 23.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.2 p -136.32 124.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.577 0.703 . . . . 10.0 112.657 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.71 124.27 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.21 -0.905 . . . . 10.0 109.736 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.92 107.05 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.987 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.11 128.38 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.887 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.46 129.0 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 23' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 0.6 OUTLIER -116.6 144.43 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.068 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.531 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.6 t -135.42 11.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.26 0.552 . . . . 10.0 109.547 178.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.18 -74.62 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.179 -1.01 . . . . 10.0 113.278 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -146.76 101.26 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.95 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 41.1 t30 -88.15 96.91 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 5.0 tmtt? -67.06 -49.64 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.94 122.5 3.33 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.097 -1.049 . . . . 10.0 113.705 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.469 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -96.85 166.29 11.7 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.519 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -109.99 117.52 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.488 0.661 . . . . 10.0 109.546 178.098 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.701 HD11 HG12 ' N' ' 32' ' ' ILE . 4.9 pt -119.57 113.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.469 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -106.09 109.31 3.13 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' P' ' 34' ' ' LEU . 6.5 mp -102.0 102.48 13.0 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.667 ' HE3' ' HG3' ' P' ' 35' ' ' MET . 0.0 OUTLIER -119.98 102.43 8.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.187 0.518 . . . . 10.0 110.82 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.736 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.5 m -126.27 146.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.408 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.67 179.65 40.43 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.015 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.39 165.82 33.67 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.995 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.84 HG22 ' HB ' ' P' ' 39' ' ' VAL . 4.1 m -121.69 149.26 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.75 ' HB ' HG22 ' N' ' 40' ' ' VAL . 13.8 t -136.12 126.56 41.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.787 0.327 . . . . 10.0 111.742 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.598 HG12 HD13 ' G' ' 31' ' ' ILE . 1.4 mm -92.15 124.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.254 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 11' ' ' GLU . . . . . 0.666 ' HG3' ' HG2' ' O' ' 11' ' ' GLU . 9.4 pm0 . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.143 0.497 . . . . 10.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.79 109.49 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.05 122.06 20.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.397 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -118.74 106.6 12.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 10.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.76 107.89 18.86 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -111.59 117.09 32.0 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.72 96.22 5.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.454 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -110.93 118.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.419 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -121.06 145.68 47.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.1 123.12 41.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.958 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.35 70.78 1.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.246 0.546 . . . . 10.0 109.754 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -101.82 134.37 45.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.601 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' P' ' 27' ' ' ASN . 4.0 t0 -147.15 136.64 22.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.899 0.38 . . . . 10.0 110.427 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 m -103.67 -0.66 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.161 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.71 -115.09 2.62 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.249 -0.977 . . . . 10.0 111.959 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -101.62 97.12 7.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.95 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -66.34 101.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.82 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -78.48 -79.63 0.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.25 0.548 . . . . 10.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 104.35 120.42 4.76 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 115.472 -0.785 . . . . 10.0 112.778 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' G' ' 40' ' ' VAL . 0.5 OUTLIER -122.54 121.19 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.1 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.66 120.56 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.226 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.18 116.5 5.28 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.454 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' O' ' 34' ' ' LEU . 2.1 mm? -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.838 0.352 . . . . 10.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HE3' ' O' ' 35' ' ' MET . 2.8 mpt? -99.23 103.24 15.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.5 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.736 ' HB ' HG12 ' O' ' 36' ' ' VAL . 28.3 t -127.97 112.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.595 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.9 137.39 13.94 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.843 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.47 105.75 0.53 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.156 -0.545 . . . . 10.0 111.875 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.84 ' HB ' HG22 ' O' ' 39' ' ' VAL . 32.7 m -111.39 154.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.662 0.245 . . . . 10.0 111.662 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.601 179.502 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -85.92 96.81 9.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 33.3 m170 -91.02 90.14 7.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.325 0.583 . . . . 10.0 110.565 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -106.27 121.42 44.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.373 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.15 127.02 47.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.311 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.77 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -123.79 117.01 23.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.92 136.07 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.11 104.67 9.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.054 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.65 103.34 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.96 121.82 44.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.727 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 74.5 mm-40 -88.03 148.61 24.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.437 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -121.29 103.96 9.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 12.7 t -135.36 -24.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.092 0.472 . . . . 10.0 110.583 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -113.49 -155.65 11.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.847 -0.692 . . . . 10.0 112.227 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 5.0 p -73.53 120.7 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.658 -0.319 . . . . 10.0 110.69 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -62.26 153.65 30.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.557 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 12.9 tptm -150.27 -92.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.478 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 157.92 126.34 0.88 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.638 -0.792 . . . . 10.0 112.78 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.51 163.94 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 10.0 110.872 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 mm -112.34 89.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB ' ' B' ' 32' ' ' ILE . 34.6 pt -110.99 135.08 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.233 0.54 . . . . 10.0 112.421 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.12 119.07 3.62 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 34' ' ' LEU . 27.4 mt -104.79 100.87 10.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -114.87 23.47 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.563 HG13 ' HB ' ' B' ' 36' ' ' VAL . 4.6 t -68.24 114.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.51 155.93 26.76 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.834 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -150.47 147.07 16.79 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.646 HG13 HG23 ' B' ' 39' ' ' VAL . 3.6 p -151.69 124.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.969 0.414 . . . . 10.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.493 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.164 0.506 . . . . 10.0 110.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.745 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -94.55 97.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 179.374 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -72.93 110.88 7.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.707 0.289 . . . . 10.0 110.519 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 22.9 m170 -111.58 89.5 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 10.0 110.125 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -110.71 111.09 22.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.704 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -121.64 116.96 25.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.318 0.58 . . . . 10.0 111.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.77 HD13 ' HG ' ' A' ' 17' ' ' LEU . 2.1 mp -109.07 110.73 22.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.054 -0.975 . . . . 10.0 109.052 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 t -116.98 120.92 66.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.763 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -116.38 125.32 51.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.451 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.57 125.39 53.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.78 99.77 4.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.727 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 22.0 mt-10 -95.99 85.37 4.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.625 -0.261 . . . . 10.0 111.586 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -78.23 79.91 4.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.066 0.46 . . . . 10.0 110.075 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.689 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 21.9 t -87.01 -15.0 9.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.49 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.05 -69.46 0.86 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.291 -0.957 . . . . 10.0 112.178 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 46.9 m -157.09 114.64 3.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.481 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 4.4 m120 -61.75 152.76 30.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.318 0.58 . . . . 10.0 111.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 7.3 tttp -148.71 -113.82 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.426 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.48 ' H ' ' HB3' ' B' ' 28' ' ' LYS . . . -170.65 107.23 0.26 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.493 -1.337 . . . . 10.0 113.578 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 151.79 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.935 HD12 HG22 ' J' ' 39' ' ' VAL . 0.9 OUTLIER -97.07 125.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.464 0.65 . . . . 10.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 32' ' ' ILE . 55.4 mt -131.39 115.46 28.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.738 -0.665 . . . . 10.0 109.689 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -112.28 115.24 3.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.353 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.484 HD13 HD13 ' C' ' 34' ' ' LEU . 3.3 mm? -97.74 90.27 4.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.84 37.2 2.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 10.0 110.881 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 18.3 t -76.2 104.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.93 130.45 6.92 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.645 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -126.91 130.42 6.91 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.374 -0.691 . . . . 10.0 111.374 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 1.007 HG22 HD11 ' J' ' 31' ' ' ILE . 2.6 p -127.04 136.35 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.413 . . . . 10.0 111.275 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.648 HG22 ' HB ' ' C' ' 40' ' ' VAL . 72.6 t -135.11 139.8 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.985 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 1.005 HG12 HG21 ' J' ' 31' ' ' ILE . 11.0 mt -58.01 129.72 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.103 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.605 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.521 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.118 0.485 . . . . 10.0 111.194 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.745 HG12 ' HB ' ' B' ' 12' ' ' VAL . 5.7 m -104.38 125.61 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -86.23 89.56 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.409 ' HD2' ' HB2' ' B' ' 14' ' ' HIS . 7.6 m170 -80.23 101.47 8.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.335 0.588 . . . . 10.0 112.216 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -115.43 93.54 4.33 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 88.8 tttt -104.83 119.65 39.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 10.0 111.815 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -120.41 112.46 19.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.41 HG13 HG13 ' D' ' 18' ' ' VAL . 8.4 p -134.23 130.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.503 0.668 . . . . 10.0 112.418 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -123.45 127.53 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.872 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.18 109.35 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.897 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.56 109.72 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -110.65 116.26 31.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.911 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.9 OUTLIER -102.21 120.62 40.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.287 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.28 7.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.46 0.648 . . . . 10.0 109.406 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -132.53 -68.88 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.566 -0.826 . . . . 10.0 113.09 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -163.14 94.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 58.1 t30 -63.29 142.31 58.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.906 0.384 . . . . 10.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -123.27 -82.23 0.65 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.586 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.9 106.73 0.19 Allowed Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.934 -1.127 . . . . 10.0 113.693 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -93.77 172.69 8.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -112.93 119.19 59.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.567 0.698 . . . . 10.0 111.531 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.65 100.1 8.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.354 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.67 103.22 2.2 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.251 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' D' ' 34' ' ' LEU . 5.5 mp -93.96 81.43 4.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.187 0.518 . . . . 10.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.66 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 5.0 mpp? -93.14 50.78 1.57 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.883 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.8 t -86.98 123.36 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.774 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.833 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -137.59 168.51 24.43 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.275 -0.964 . . . . 10.0 112.841 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.03 147.77 17.94 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.881 HG21 ' HA3' ' K' ' 33' ' ' GLY . 0.9 OUTLIER -139.14 129.79 33.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.74 0.305 . . . . 10.0 111.154 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' B' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.704 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.914 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 75.3 mt-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' C' ' 11' ' ' GLU . 4.1 p -169.84 154.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.469 0.176 . . . . 10.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.42 132.52 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.015 0.436 . . . . 10.0 111.645 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -131.14 84.75 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 18.8 pt20 -108.82 140.48 42.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 10.0 111.642 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 30.3 ttpt -140.6 122.23 15.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.039 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.25 112.49 23.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.507 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.5 t -119.75 115.68 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.307 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -115.88 125.44 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -106.61 125.47 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.616 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.3 99.94 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.888 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -104.2 96.85 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.602 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.78 92.03 8.21 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.462 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 92.1 t -86.85 -24.96 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 10.0 111.784 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.487 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -93.06 -81.47 1.49 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.339 -0.934 . . . . 10.0 113.427 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -151.15 113.64 4.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.7 OUTLIER -63.26 155.86 27.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.688 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 49.9 tttm -141.11 -107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.578 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . -165.46 99.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.178 -1.01 . . . . 10.0 112.86 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -100.5 153.28 19.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.825 ' HA ' HG12 ' C' ' 31' ' ' ILE 0.259 0.0 OUTLIER -97.94 127.46 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.404 0.621 . . . . 10.0 112.372 178.989 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mt -125.38 96.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 111.3 4.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.604 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.564 HD23 ' HG ' ' C' ' 34' ' ' LEU . 1.6 mm? -101.31 78.46 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.948 0.404 . . . . 10.0 109.959 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.847 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.8 mpp? -94.72 73.81 3.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.124 0.487 . . . . 10.0 110.771 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' C' ' 36' ' ' VAL . 31.7 t -102.6 122.59 55.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.642 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.968 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.11 125.89 2.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.941 -1.123 . . . . 10.0 112.911 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 133.58 7.48 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.66 -0.781 . . . . 10.0 111.648 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 1.049 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.9 m -130.23 144.6 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 10.0 112.096 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.861 HG22 ' HB ' ' E' ' 40' ' ' VAL . 11.6 t -140.94 142.27 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.116 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 tt -82.91 128.99 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.914 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.1 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.742 0.782 . . . . 10.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.499 HG12 HG12 ' D' ' 12' ' ' VAL . 18.8 m -86.53 143.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -90.91 92.78 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.47 102.68 15.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.829 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' F' ' 15' ' ' GLN . 3.9 tt0 -121.29 110.89 16.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.17 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -123.27 131.2 53.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.148 0.499 . . . . 10.0 111.305 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.627 HD22 HD23 ' E' ' 34' ' ' LEU . 3.0 mp -123.23 116.0 22.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.45 -0.796 . . . . 10.0 109.174 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -122.63 125.46 72.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.325 0.583 . . . . 10.0 111.928 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -120.65 122.14 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.668 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -106.59 104.06 13.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.096 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 108.52 19.51 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -115.52 129.47 56.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.811 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.52 142.51 50.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.286 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.8 t -138.18 19.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.19 -62.22 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.286 -0.959 . . . . 10.0 113.6 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.95 121.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.798 0.299 . . . . 10.0 110.842 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.64 164.23 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.784 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' F' ' 28' ' ' LYS . 15.0 ttmm -142.82 -102.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.978 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -162.43 100.02 0.18 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.015 -1.088 . . . . 10.0 113.624 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -83.81 154.4 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -114.87 86.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.092 0.472 . . . . 10.0 109.838 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.68 120.66 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.133 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.609 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -125.35 105.43 0.83 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.303 -0.951 . . . . 10.0 113.428 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.627 HD23 HD22 ' E' ' 17' ' ' LEU . 7.9 mp -93.79 72.19 4.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ptp -90.99 69.22 6.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 10.0 110.828 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.7 m -102.74 138.85 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.641 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.939 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -146.96 147.52 18.42 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.088 -1.053 . . . . 10.0 112.9 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.56 138.26 9.81 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 1.045 HG21 ' HA3' ' M' ' 33' ' ' GLY . 43.9 t -132.55 122.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.937 0.398 . . . . 10.0 112.017 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.861 ' HB ' HG22 ' D' ' 40' ' ' VAL . 76.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.895 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.631 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.188 0.518 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.839 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.7 t -106.92 100.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.87 125.93 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.965 0.357 . . . . 10.0 111.965 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -127.0 81.17 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.216 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 9.8 tt0 -103.68 118.24 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.372 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -134.19 130.57 37.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.294 0.569 . . . . 10.0 111.804 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.13 117.0 28.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.579 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.0 t -117.62 118.24 57.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.127 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.6 129.34 53.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.048 0.451 . . . . 10.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -109.16 126.05 52.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.96 85.36 2.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -104.65 102.07 11.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.866 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.591 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 31.2 m-20 -112.85 115.03 27.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.318 0.58 . . . . 10.0 110.137 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 29.0 m -106.34 31.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.661 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.99 -89.32 0.15 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.074 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -134.51 92.97 2.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.3 m120 -63.45 134.64 56.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.913 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.583 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 2.8 tmtt? -116.97 -53.6 2.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 117.5 120.69 3.1 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.766 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -89.71 159.86 16.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.639 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 17.8 tt -103.98 112.79 38.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.642 0.734 . . . . 10.0 110.543 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.634 HG12 HD12 ' G' ' 32' ' ' ILE . 15.4 mt -114.68 112.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.109 -0.951 . . . . 10.0 110.521 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 103.43 2.21 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.7 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.0 mm? -90.62 76.85 6.47 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.715 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 0.9 OUTLIER -89.62 68.09 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 10.0 109.895 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG12 ' E' ' 36' ' ' VAL . 26.3 t -98.94 118.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.506 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.8 149.29 18.73 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.369 -0.919 . . . . 10.0 113.187 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -139.78 143.41 13.74 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.4 -0.68 . . . . 10.0 111.4 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.861 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.4 t -144.97 143.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.286 . . . . 10.0 111.681 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.419 ' HB ' HG13 ' G' ' 40' ' ' VAL . 8.5 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 10.0 110.905 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.839 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.3 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.553 0.692 . . . . 10.0 112.806 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -96.38 105.01 17.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.11 114.63 23.89 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.061 0.458 . . . . 10.0 111.745 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.532 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 1.4 tp60 -126.43 86.07 2.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' G' ' 16' ' ' LYS . 1.7 tmmm? -109.71 114.17 27.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.919 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 32.3 mt -116.05 115.71 26.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.6 m -128.71 125.73 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.476 0.655 . . . . 10.0 112.489 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -126.35 126.98 44.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.416 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.43 120.21 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.394 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.76 111.85 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.17 123.61 42.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.45 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.48 126.66 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 10.0 110.286 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.0 t -114.81 18.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.249 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.82 -72.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.345 -0.931 . . . . 10.0 113.412 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.46 105.78 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.712 -0.287 . . . . 10.0 110.717 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.79 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 23.3 t-20 -63.49 146.64 53.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.524 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -126.36 -42.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.858 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 105.19 114.47 3.96 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.103 -1.046 . . . . 10.0 112.571 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.744 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -87.62 168.41 13.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.341 . . . . 10.0 111.296 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.61 88.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.301 -0.999 . . . . 10.0 108.301 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.634 HD12 HG12 ' F' ' 32' ' ' ILE . 8.3 mt -99.29 104.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 10.0 111.075 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.433 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -111.25 115.98 4.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.57 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.11 76.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.881 0.372 . . . . 10.0 110.735 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.588 ' HG2' ' HA ' ' H' ' 35' ' ' MET . 0.1 OUTLIER -83.38 80.04 9.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.917 0.865 . . . . 10.0 109.834 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.483 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 39.8 t -97.13 108.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.92 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.37 127.58 7.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.268 -0.968 . . . . 10.0 111.657 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . 0.506 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -141.81 116.2 1.06 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.126 -1.035 . . . . 10.0 112.847 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 1.02 ' HB ' HD11 ' O' ' 31' ' ' ILE . 33.9 m -122.89 152.76 27.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 10.0 111.625 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.419 HG13 ' HB ' ' F' ' 40' ' ' VAL . 2.6 p . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' H' ' 12' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' G' ' 12' ' ' VAL . 2.9 m -66.46 137.41 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.689 0.281 . . . . 10.0 110.998 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -57.32 127.97 34.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.604 0.964 . . . . 10.0 113.604 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -125.75 95.01 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.994 -1.003 . . . . 10.0 109.324 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -105.2 125.15 50.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.725 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -134.68 119.16 17.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.84 109.82 15.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.892 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.19 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.717 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -132.56 133.92 44.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 10.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.12 130.21 56.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.108 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 90.74 2.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -109.7 142.19 41.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.443 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.39 130.35 20.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.719 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.59 13.78 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.984 0.421 . . . . 10.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.62 -61.94 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.163 -1.018 . . . . 10.0 112.672 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -155.14 102.27 2.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.79 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 28.3 t-20 -51.16 140.05 17.13 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.575 0.547 . . . . 10.0 110.024 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 22.5 tttp -122.66 167.33 13.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.912 0.387 . . . . 10.0 111.029 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.744 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -87.6 75.88 2.07 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 111.285 -0.726 . . . . 10.0 111.285 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 138.25 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 10.0 110.718 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -91.22 114.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.187 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.45 114.39 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.581 ' HA3' HG11 ' P' ' 39' ' ' VAL . . . -122.36 112.47 2.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.908 -0.663 . . . . 10.0 111.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -104.18 93.18 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.693 0.282 . . . . 10.0 111.466 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.588 ' HA ' ' HG2' ' G' ' 35' ' ' MET . 8.6 tpt -88.98 90.4 8.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.126 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 61.5 t -94.15 124.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.274 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -125.35 107.06 0.94 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.198 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.04 179.562 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' J' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.044 0.45 . . . . 10.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -118.32 149.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -80.56 92.2 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.608 ' HB2' ' HD2' ' J' ' 14' ' ' HIS . 34.5 m80 -88.96 91.08 8.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.067 0.46 . . . . 10.0 110.385 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -101.85 115.65 30.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.248 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -113.95 122.06 45.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.545 HD21 HD22 ' I' ' 34' ' ' LEU . 39.6 tp -129.14 123.64 32.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.61 135.64 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 10.0 112.381 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -113.47 110.38 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.423 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -92.89 101.05 13.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.678 0.275 . . . . 10.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.65 115.97 31.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.853 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 12.6 mm-40 -90.22 136.85 32.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.212 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.598 ' HA ' HD21 ' J' ' 27' ' ' ASN . 3.8 t0 -112.36 109.33 18.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.078 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 12.6 t -131.49 -16.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.141 0.496 . . . . 10.0 110.327 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -116.5 -138.99 6.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.034 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -91.44 114.81 27.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.91 0.355 . . . . 10.0 110.391 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -62.36 153.53 30.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.791 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 24.0 mtpp -148.68 -85.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.798 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 154.58 124.82 0.94 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.472 -0.87 . . . . 10.0 112.463 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -81.68 166.9 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 10.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.605 HD13 ' H ' ' B' ' 42' ' ' ALA . 1.2 mt -117.51 92.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.585 HG22 ' HB ' ' J' ' 32' ' ' ILE . 28.1 pt -110.27 130.32 63.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.34 106.32 1.67 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.706 -0.958 . . . . 10.0 110.706 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.545 HD22 HD21 ' I' ' 17' ' ' LEU . 22.0 mt -95.78 99.49 11.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 10.0 111.627 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.05 18.46 17.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.173 0.511 . . . . 10.0 110.236 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.728 HG12 ' HB ' ' J' ' 36' ' ' VAL . 3.0 m -65.62 128.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.551 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -168.78 -161.67 19.41 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.667 -0.778 . . . . 10.0 112.063 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.35 164.36 23.91 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.384 -0.686 . . . . 10.0 111.384 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.697 HG13 HG23 ' J' ' 39' ' ' VAL . 7.3 p -149.56 133.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 10.0 111.154 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' J' ' 40' ' ' VAL . 2.8 t -130.85 166.09 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 pt -61.62 120.57 7.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 10.0 110.708 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.059 -179.592 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.563 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 43.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.855 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.5 t -105.61 94.76 3.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -69.59 113.65 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.917 0.389 . . . . 10.0 111.325 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.608 ' HD2' ' HB2' ' I' ' 14' ' ' HIS . 35.7 m170 -115.63 91.97 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.305 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -106.45 119.5 39.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.375 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -118.42 107.42 13.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -107.21 98.98 8.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.801 ' HB ' HG12 ' K' ' 18' ' ' VAL . 15.7 t -113.17 117.88 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.611 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 70.0 m-85 -112.06 126.2 54.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.4 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -110.61 128.52 55.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.81 99.66 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.853 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 pt-20 -104.26 92.38 4.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.048 0.452 . . . . 10.0 111.825 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.599 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.9 OUTLIER -78.79 81.18 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.922 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.643 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 21.2 t -80.59 -16.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.863 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.05 -73.46 1.09 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.663 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 71.6 m -154.0 113.86 3.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.839 0.352 . . . . 10.0 110.407 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.598 HD21 ' HA ' ' I' ' 23' ' ' ASP . 4.9 m120 -60.22 156.04 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.275 -0.875 . . . . 10.0 111.468 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.875 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.4 OUTLIER -150.77 -102.93 0.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.012 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -174.02 96.85 0.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 119.58 -1.295 . . . . 10.0 113.824 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -79.39 147.79 32.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 1.007 HD11 HG22 ' B' ' 39' ' ' VAL . 1.5 tp -104.44 106.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.631 0.729 . . . . 10.0 111.407 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.585 ' HB ' HG22 ' I' ' 32' ' ' ILE . 13.7 mm -112.89 126.98 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.369 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.04 117.72 3.57 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.762 -0.732 . . . . 10.0 111.537 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.44 HD23 HD13 ' K' ' 34' ' ' LEU . 90.3 mt -109.52 100.64 9.67 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.693 -0.298 . . . . 10.0 110.811 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.546 ' HE1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 mmt -108.53 29.23 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 10.0 109.794 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' I' ' 36' ' ' VAL . 16.4 t -70.66 109.46 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.034 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -146.71 136.17 6.08 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.751 -0.737 . . . . 10.0 112.221 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.56 137.34 9.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.512 -0.851 . . . . 10.0 111.871 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.935 HG22 HD12 ' B' ' 31' ' ' ILE . 2.9 p -121.86 128.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 10.0 110.779 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.605 ' HB ' HG13 ' I' ' 40' ' ' VAL . 73.2 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 7.3 mm-40 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.121 0.486 . . . . 10.0 110.631 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . 0.855 HG12 ' HB ' ' J' ' 12' ' ' VAL . 5.0 m -94.42 123.96 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -82.96 92.65 7.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.401 -1.333 . . . . 10.0 107.401 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -83.81 105.17 14.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.316 0.579 . . . . 10.0 112.202 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -120.61 98.29 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.086 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -107.42 124.65 50.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.558 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' L' ' 17' ' ' LEU . 11.9 mt -125.38 106.46 9.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.801 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.2 m -124.74 130.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.32 0.581 . . . . 10.0 112.209 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 65.7 m-85 -124.75 124.98 43.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.106 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.21 109.25 18.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.772 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.51 112.86 24.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.85 115.39 27.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.611 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 5.1 t70 -100.86 123.66 45.39 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.799 0.333 . . . . 10.0 111.003 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.75 1.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.066 0.46 . . . . 10.0 110.052 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.39 -69.36 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.341 -0.933 . . . . 10.0 113.603 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -160.73 99.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.682 0.241 . . . . 10.0 110.645 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . 0.679 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 54.0 t30 -70.19 148.53 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.923 0.392 . . . . 10.0 111.56 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.875 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 6.5 ttpp -126.05 -89.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.297 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . 179.89 101.53 0.15 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.917 -1.135 . . . . 10.0 113.349 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.497 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -93.8 150.09 20.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.728 ' HA ' HG23 ' J' ' 31' ' ' ILE . 4.2 tt -101.75 115.3 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.612 0.968 . . . . 10.0 113.612 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.523 HG12 HD12 ' L' ' 32' ' ' ILE . 59.4 mt -116.89 108.78 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.082 -0.963 . . . . 10.0 108.778 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . 0.881 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -112.73 114.91 3.58 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.811 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.658 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.75 87.5 3.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.109 0.481 . . . . 10.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.833 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.3 mpp? -93.63 55.47 2.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.615 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 33.5 t -92.61 125.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.183 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . 0.66 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -148.01 172.39 28.32 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.638 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.39 155.98 27.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.963 -0.637 . . . . 10.0 111.908 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' J' ' 39' ' ' VAL . 11.4 p -144.64 130.77 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.603 HG22 ' HB ' ' L' ' 40' ' ' VAL . 81.9 t -135.64 143.89 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.469 ' HA ' ' CG2' ' C' ' 31' ' ' ILE . 5.5 tp -67.86 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.924 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.596 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 45.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.305 0.098 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' K' ' 11' ' ' GLU . 1.6 p -164.39 166.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.687 -0.405 . . . . 10.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . 0.461 ' H ' HG22 ' L' ' 12' ' ' VAL . 79.6 t60 -97.42 140.85 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.884 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -131.34 99.14 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.442 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . 0.403 ' HB2' ' NE2' ' L' ' 13' ' ' HIS . 38.2 tt0 -110.4 128.63 55.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.016 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -132.55 115.94 16.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.257 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.459 ' HB2' HD23 ' K' ' 17' ' ' LEU . 7.4 mp -117.36 109.02 16.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.44 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.848 ' HB ' HG12 ' M' ' 18' ' ' VAL . 11.1 t -120.16 114.84 45.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.921 0.391 . . . . 10.0 110.314 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 25.8 m-85 -116.82 122.94 45.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -106.01 125.15 50.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.727 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 94.02 3.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.533 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.98 103.3 15.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.021 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.9 OUTLIER -100.53 89.96 4.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.114 0.483 . . . . 10.0 110.961 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 60.4 t -76.28 -28.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.055 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.59 -123.13 4.78 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.32 -0.943 . . . . 10.0 112.628 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -98.73 127.46 44.67 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.679 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.5 OUTLIER -82.41 157.84 23.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' K' ' 28' ' ' LYS . 41.8 tttt -140.03 -103.66 0.16 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 10.0 111.799 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . -165.58 88.8 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.934 -1.126 . . . . 10.0 113.703 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.39 150.88 23.52 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 1.049 HD11 ' HB ' ' D' ' 39' ' ' VAL . 0.8 OUTLIER -112.43 121.45 64.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.547 HG12 HD11 ' M' ' 32' ' ' ILE . 38.2 mt -113.76 110.76 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.719 -1.128 . . . . 10.0 109.371 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -104.81 109.32 3.28 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.347 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.0 mm? -99.29 83.55 2.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.968 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.0 mpp? -98.39 80.76 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.184 0.516 . . . . 10.0 110.582 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 14.5 t -111.43 125.41 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.456 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.847 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.55 119.77 1.32 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.21 -0.995 . . . . 10.0 113.215 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.26 145.23 16.5 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.227 -0.749 . . . . 10.0 111.227 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' M' ' 39' ' ' VAL . 1.4 m -131.88 161.16 41.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.96 0.409 . . . . 10.0 111.795 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.603 ' HB ' HG22 ' K' ' 40' ' ' VAL . 48.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.901 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . 0.753 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 6.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.724 0.773 . . . . 10.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 19.4 m -119.33 139.47 46.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.291 -0.868 . . . . 10.0 111.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' N' ' 13' ' ' HIS . 6.0 t60 -80.99 102.3 10.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.999 -1.112 . . . . 10.0 107.999 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 100.94 12.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.312 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . 0.597 HE22 HG21 ' M' ' 36' ' ' VAL . 23.4 tt0 -118.58 109.38 16.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.372 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 10.0 111.569 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.825 HD22 HD23 ' M' ' 34' ' ' LEU . 4.2 mp -121.19 117.93 28.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.293 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.848 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.5 m -124.32 126.39 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.291 0.567 . . . . 10.0 111.977 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.521 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 22.0 m-85 -120.05 123.13 42.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.313 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -109.77 99.98 9.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.303 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.37 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -122.94 111.77 17.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.506 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.86 131.92 51.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.614 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.5 t -119.95 11.08 6.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.576 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.35 -69.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.177 -1.011 . . . . 10.0 113.156 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -157.15 109.84 2.49 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.64 -0.33 . . . . 10.0 110.799 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . 0.479 HD22 ' CG ' ' L' ' 23' ' ' ASP . 12.0 t-20 -73.06 166.71 22.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 0.0 OUTLIER -145.96 -102.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' M' ' 28' ' ' LYS . . . -150.12 78.09 0.22 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.518 -1.325 . . . . 10.0 114.31 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.37 133.65 35.23 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.874 HG23 HG12 ' N' ' 31' ' ' ILE . 8.4 tt -112.58 117.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.923 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.0 pt -115.9 123.8 71.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.085 -0.961 . . . . 10.0 110.344 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 1.045 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -114.69 117.0 3.93 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.671 -0.776 . . . . 10.0 112.406 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.825 HD23 HD22 ' M' ' 17' ' ' LEU . 7.2 mp -104.49 83.54 2.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.76 0.314 . . . . 10.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.939 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.9 mpp? -95.91 89.67 5.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.818 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.597 HG21 HE22 ' M' ' 15' ' ' GLN . 1.2 p -124.98 125.7 70.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.598 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -145.86 169.07 27.38 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.492 -0.861 . . . . 10.0 112.213 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.41 139.72 5.87 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.864 -0.684 . . . . 10.0 111.564 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' L' ' 39' ' ' VAL . 34.9 m -127.51 130.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.539 -0.171 . . . . 10.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' N' ' 40' ' ' VAL . 13.4 m -146.42 169.76 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 1.9 mm -148.16 118.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.055 . . . . 10.0 108.509 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.601 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.976 0.417 . . . . 10.0 111.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.435 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.3 OUTLIER -81.38 136.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.643 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' M' ' 13' ' ' HIS . 68.1 t60 -64.89 128.3 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.541 -0.754 . . . . 10.0 112.065 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -122.59 87.96 2.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' O' ' 15' ' ' GLN . 18.7 tt0 -99.85 127.06 46.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -130.36 113.45 14.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.089 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.464 HD22 HD13 ' N' ' 34' ' ' LEU . 5.6 mp -111.91 120.56 42.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.462 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 4.8 t -122.77 118.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.006 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 61.3 m-85 -122.26 122.16 38.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.714 0.292 . . . . 10.0 111.017 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -105.71 125.66 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.332 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 102.01 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -110.38 104.55 13.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.69 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 52.6 m-20 -100.09 93.64 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.423 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 98.3 t -75.53 -28.34 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.18 -73.09 1.07 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.46 -0.876 . . . . 10.0 112.006 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 41.9 t -177.87 132.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 15.4 p30 -93.49 157.69 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 10.0 111.208 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.698 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 22.8 tptm -115.4 -80.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.548 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.73 94.56 0.13 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.427 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -101.74 145.95 28.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.874 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -119.45 116.69 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.885 0.85 . . . . 10.0 112.496 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.923 ' HB ' HG22 ' M' ' 32' ' ' ILE . 72.1 mt -108.67 112.27 39.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.751 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -106.94 118.89 5.74 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.274 -0.965 . . . . 10.0 113.41 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.752 HD12 ' HG ' ' M' ' 34' ' ' LEU . 77.5 mt -111.33 101.84 10.28 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.55 ' O ' ' HA ' ' O' ' 35' ' ' MET . 6.4 mtm -117.18 98.16 6.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.066 0.46 . . . . 10.0 110.059 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.9 p -130.17 129.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.172 0.51 . . . . 10.0 111.317 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.74 139.18 9.17 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.802 -0.713 . . . . 10.0 111.623 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.3 151.15 20.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.735 -0.745 . . . . 10.0 111.847 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 22.6 m -134.37 136.34 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.776 0.322 . . . . 10.0 111.542 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.586 ' HB ' ' CG1' ' M' ' 40' ' ' VAL . 74.7 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.92 0.391 . . . . 10.0 110.802 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.56 179.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.945 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -119.41 114.55 22.49 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -99.05 102.63 14.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.005 0.431 . . . . 10.0 111.559 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . 0.562 ' HB3' ' HG3' ' N' ' 15' ' ' GLN . 3.3 mt-30 -112.46 99.78 8.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 40.2 mtmt -111.51 116.76 31.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.072 0.463 . . . . 10.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.19 113.82 25.17 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.3 p -129.81 122.72 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.479 0.657 . . . . 10.0 112.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.49 135.7 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.387 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -113.66 117.5 31.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 105.04 9.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -116.91 124.52 49.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.838 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . 0.442 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.8 t70 -108.28 141.88 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.382 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 2.8 t -125.74 8.22 4.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.839 0.352 . . . . 10.0 110.793 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 119.669 -1.253 . . . . 10.0 114.327 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.03 105.01 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.885 0.343 . . . . 10.0 111.191 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.881 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 49.8 t-20 -89.02 103.46 16.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.864 0.364 . . . . 10.0 110.727 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' P' ' 28' ' ' LYS . 1.0 OUTLIER -72.06 -47.1 54.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.354 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.427 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 117.57 124.6 3.49 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.267 -0.968 . . . . 10.0 113.251 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -108.22 176.33 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 1.02 HD11 ' HB ' ' G' ' 39' ' ' VAL . 0.3 OUTLIER -125.73 109.66 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.68 0.753 . . . . 10.0 110.683 178.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.489 HD11 HG12 ' N' ' 32' ' ' ILE . 5.1 pt -110.64 110.66 32.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.18 -0.918 . . . . 10.0 109.418 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.46 116.56 5.37 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.371 -0.919 . . . . 10.0 112.565 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.04 102.76 12.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.5 mtm -117.58 103.23 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.092 0.472 . . . . 10.0 110.85 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.847 HG12 ' HB ' ' P' ' 36' ' ' VAL . 4.2 m -124.72 139.38 51.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.924 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.98 147.11 18.98 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -145.14 138.32 7.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.847 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.433 HG11 ' HA3' ' G' ' 33' ' ' GLY . 1.4 m -126.72 151.62 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' P' ' 40' ' ' VAL . 7.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 110.913 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.655 0.264 . . . . 10.0 110.432 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -111.09 112.43 24.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.018 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -129.5 97.05 4.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 12.3 ptmt -117.48 119.55 35.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.55 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.82 119.81 40.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.626 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -120.95 119.67 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.68 134.87 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.72 139.13 46.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.368 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.64 91.98 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 10.0 110.737 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -125.59 123.58 39.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . 0.607 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 7.1 t0 -125.02 130.07 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.151 0.5 . . . . 10.0 110.131 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.606 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 33.4 m -93.58 5.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.924 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.84 -78.68 0.28 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.111 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -133.76 106.46 7.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.535 0.207 . . . . 10.0 110.563 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.881 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.7 m120 -74.41 75.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' O' ' 28' ' ' LYS . 8.3 mmmm -58.83 -64.5 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.489 0.661 . . . . 10.0 109.893 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 91.12 151.35 26.51 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 115.295 -0.866 . . . . 10.0 112.089 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.35 -170.17 2.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.56 HD11 HG23 ' G' ' 39' ' ' VAL . 1.6 tt -105.6 118.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.13 0.491 . . . . 10.0 111.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.38 127.43 72.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.55 114.65 3.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.596 -0.812 . . . . 10.0 112.801 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.14 87.55 2.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA2' ' H' ' 37' ' ' GLY . 2.8 mpt? -100.77 103.85 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.77 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.847 ' HB ' HG12 ' O' ' 36' ' ' VAL . 44.9 t -126.05 121.41 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.97 134.87 8.38 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.543 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . 0.489 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -128.36 127.64 5.73 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.574 -0.611 . . . . 10.0 111.574 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.581 HG11 ' HA3' ' H' ' 33' ' ' GLY . 15.9 m -117.04 126.04 74.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.936 0.398 . . . . 10.0 111.367 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 47.3 t . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 10.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' H ' HG12 ' A' ' 12' ' ' VAL . 27.9 t60 -102.2 116.8 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.561 -1.199 . . . . 10.0 107.998 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -103.37 113.28 26.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.016 0.436 . . . . 10.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.03 115.41 20.49 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.873 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -130.26 122.46 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.67 104.73 9.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -115.87 123.04 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -109.53 110.67 21.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.116 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.74 100.24 10.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -106.97 119.93 40.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.923 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 2.5 mm-40 -85.59 167.18 15.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.02 103.68 4.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.442 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.663 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.2 t -132.46 -32.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.055 0.455 . . . . 10.0 110.246 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -104.86 -159.3 23.59 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.069 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -64.01 122.29 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.385 0.274 . . . . 10.0 110.492 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.38 156.88 35.42 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 16.7 tptm -153.25 -99.03 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.564 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.18 128.53 0.96 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.978 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.5 174.31 9.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 10.0 111.788 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 mm -121.38 92.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.799 HG22 ' HB ' ' B' ' 32' ' ' ILE . 11.7 pt -117.38 126.46 74.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.226 0.536 . . . . 10.0 112.21 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.14 116.43 3.62 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.573 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' B' ' 34' ' ' LEU . 80.3 mt -99.68 99.33 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.808 0.337 . . . . 10.0 111.266 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.76 18.72 18.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.106 0.479 . . . . 10.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 43.3 t -62.86 129.02 25.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.738 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.8 166.29 34.39 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.525 -0.845 . . . . 10.0 112.265 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -165.13 151.44 20.31 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.051 -0.82 . . . . 10.0 111.051 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.804 HG13 HG23 ' B' ' 39' ' ' VAL . 3.3 p -153.53 129.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.966 0.413 . . . . 10.0 111.167 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.084 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.981 0.419 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.518 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -107.15 94.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -77.55 111.44 13.28 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.14 89.59 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.368 0.604 . . . . 10.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -106.13 105.29 15.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -122.1 121.69 37.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.251 0.548 . . . . 10.0 111.958 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.12 115.24 27.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.183 -0.917 . . . . 10.0 109.619 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' C' ' 18' ' ' VAL . 11.0 t -116.53 120.41 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.08 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CZ ' HD11 ' B' ' 34' ' ' LEU . 84.1 m-85 -118.23 121.11 39.65 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' C' ' 20' ' ' PHE . 17.3 m-85 -108.14 121.84 45.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -138.53 95.83 3.05 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 3.9 pt-20 -105.61 94.9 5.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.502 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -79.95 89.6 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.758 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.663 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.7 t -87.65 -21.24 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.46 -65.97 1.11 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.194 -1.003 . . . . 10.0 111.475 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 49.4 m -157.72 119.52 3.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.2 m120 -64.63 153.33 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.157 0.504 . . . . 10.0 110.821 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 4.9 tppt? -147.61 -110.97 0.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.628 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -170.24 104.63 0.21 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.928 -1.129 . . . . 10.0 112.973 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -82.62 148.65 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' C' ' 31' ' ' ILE . 14.3 mm -97.73 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 32' ' ' ILE . 57.8 mt -120.57 120.83 63.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.055 0.455 . . . . 10.0 111.37 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.437 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -116.89 122.81 5.59 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.764 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -109.05 91.64 3.72 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.364 -0.235 . . . . 10.0 110.364 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -105.65 41.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.227 0.537 . . . . 10.0 110.471 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 28.0 t -78.66 109.14 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.378 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.88 140.34 11.5 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.709 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -139.74 135.39 7.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.035 -0.603 . . . . 10.0 111.778 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.804 HG23 HG13 ' A' ' 39' ' ' VAL . 12.1 p -129.59 133.85 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.017 0.437 . . . . 10.0 111.46 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' C' ' 40' ' ' VAL . 67.5 t -131.25 141.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.592 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.8 HG12 HG21 ' J' ' 31' ' ' ILE . 19.5 mt -60.01 129.95 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.587 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.593 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.668 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.996 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.009 0.433 . . . . 10.0 111.276 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.518 HG12 ' HB ' ' B' ' 12' ' ' VAL . 3.8 m -98.92 113.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -83.69 93.56 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.24 102.42 14.46 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.233 0.54 . . . . 10.0 111.965 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -115.63 92.66 3.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.293 -0.867 . . . . 10.0 108.919 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.632 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 84.5 tttt -105.93 119.89 40.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.314 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.484 HD13 HD23 ' C' ' 34' ' ' LEU . 21.3 mt -119.94 111.51 18.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.434 -0.95 . . . . 10.0 108.434 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' B' ' 18' ' ' VAL . 10.4 p -131.58 130.73 62.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.597 0.713 . . . . 10.0 112.676 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' D' ' 19' ' ' PHE . 52.3 m-85 -124.72 126.61 45.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.069 -0.968 . . . . 10.0 110.031 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . 98.0 m-85 -110.08 114.82 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.896 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.78 102.93 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.088 0.47 . . . . 10.0 109.763 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.51 ' HA ' ' HG3' ' B' ' 22' ' ' GLU . 53.0 mt-10 -102.12 129.05 48.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.909 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 1.7 t70 -117.63 124.04 47.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.678 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 17.4 m -128.46 13.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.129 0.49 . . . . 10.0 109.841 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -130.25 -63.47 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.005 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.1 p -175.17 90.63 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 64.2 t30 -62.56 151.57 37.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.325 0.583 . . . . 10.0 112.43 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 71.9 tttt -132.39 -98.95 0.29 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.307 -0.86 . . . . 10.0 110.402 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -169.28 106.6 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.565 -1.302 . . . . 10.0 113.524 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.42 153.68 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.653 HD12 HG22 ' K' ' 39' ' ' VAL . 7.0 pt -102.59 118.92 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.713 0.768 . . . . 10.0 112.094 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -123.06 101.14 9.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.99 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.54 109.43 3.44 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.642 -0.789 . . . . 10.0 112.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.3 mp -97.95 79.26 2.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.1 0.476 . . . . 10.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.805 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.5 mpp? -94.64 60.49 2.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.45 0.643 . . . . 10.0 110.118 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.7 t -91.75 120.14 40.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.145 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.857 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -134.85 147.0 18.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.199 -1.001 . . . . 10.0 113.225 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.92 145.49 17.21 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.932 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.2 t -137.7 131.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.769 0.319 . . . . 10.0 111.237 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' B' ' 40' ' ' VAL . 72.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.176 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 40.8 mt-10 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.482 0.182 . . . . 10.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.996 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 4.3 p -131.24 149.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.832 -0.347 . . . . 10.0 111.433 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 134.06 34.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.862 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.04 94.43 3.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.092 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 27.8 pt20 -116.48 132.59 56.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 10.0 111.506 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.632 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 36.9 ttpt -134.65 121.4 20.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.656 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.3 115.16 28.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.538 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.775 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.1 t -122.34 116.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.634 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' C' ' 19' ' ' PHE . 22.9 m-85 -118.68 125.35 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.674 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -108.87 121.62 45.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.85 105.3 8.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -109.04 101.18 10.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.29 118.26 31.05 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' CG2' ' C' ' 24' ' ' VAL . 69.3 t -109.65 -30.77 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.459 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.2 -103.71 1.32 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.601 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.476 ' H ' ' HA ' ' E' ' 26' ' ' SER . 0.8 OUTLIER -120.41 106.54 11.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.525 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -63.26 149.9 44.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.828 0.347 . . . . 10.0 110.874 -179.503 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 27.5 tttm -135.43 -84.71 0.39 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.836 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.87 102.81 0.16 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.021 -1.085 . . . . 10.0 113.596 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.708 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -87.02 161.88 17.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 2.0 pt -110.72 115.42 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.862 0.839 . . . . 10.0 111.473 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.08 108.69 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.771 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.874 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.8 110.45 3.41 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.663 -0.779 . . . . 10.0 112.207 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.2 mm? -97.54 84.62 3.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.611 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 10.7 mtm -100.54 71.84 1.54 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.171 0.51 . . . . 10.0 110.336 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.491 ' HB ' HG13 ' C' ' 36' ' ' VAL . 23.9 t -98.97 123.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.908 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.966 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -138.88 143.53 14.25 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.08 -1.057 . . . . 10.0 112.687 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 133.95 4.7 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.865 HG23 HD11 ' M' ' 31' ' ' ILE . 12.1 m -131.19 141.15 46.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.033 0.444 . . . . 10.0 112.191 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' E' ' 40' ' ' VAL . 39.5 t -131.45 132.08 62.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.344 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.17 131.5 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 10.0 111.096 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.657 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.842 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 4.4 mp0 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.624 0.726 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.43 142.44 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.996 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -90.42 106.93 18.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 106.65 18.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.7 tp60 -118.91 103.97 10.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -118.31 126.04 51.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.239 0.542 . . . . 10.0 111.759 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' F' ' 17' ' ' LEU . 13.0 mt -119.83 111.7 18.31 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.5 OUTLIER -122.71 119.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.321 0.581 . . . . 10.0 112.05 -179.04 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -120.64 124.0 44.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.595 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 108.94 9.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.044 0.45 . . . . 10.0 110.146 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.55 132.95 55.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.87 150.72 30.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 2.1 t -138.54 10.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.669 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' D' ' 25' ' ' GLY . . . -142.19 -57.81 0.03 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.249 -0.977 . . . . 10.0 114.136 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' D' ' 26' ' ' SER . 0.3 OUTLIER -168.69 124.45 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.014 0.407 . . . . 10.0 110.853 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -86.5 164.2 17.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 111.374 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 12.9 mttt -142.48 -97.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.378 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.708 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -172.42 103.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.964 -1.112 . . . . 10.0 113.631 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.62 149.72 27.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 7.9 mt -103.67 88.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.37 117.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.212 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.502 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -123.46 106.05 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.101 -1.047 . . . . 10.0 113.361 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -96.41 88.86 4.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -105.07 72.23 0.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.591 0.71 . . . . 10.0 110.451 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' F' ' 36' ' ' VAL . 31.3 m -101.38 133.72 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.609 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -138.41 152.52 22.02 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.413 -0.899 . . . . 10.0 112.729 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 128.93 4.19 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.928 HG21 ' HA3' ' M' ' 33' ' ' GLY . 55.2 t -126.29 117.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.061 0.458 . . . . 10.0 111.828 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' D' ' 40' ' ' VAL . 60.7 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.814 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.782 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 2.3 tp10 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.315 -0.254 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.984 ' HB ' HG12 ' G' ' 12' ' ' VAL . 7.2 t -89.82 91.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -71.92 126.68 30.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.431 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -125.3 97.24 5.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.175 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 8.1 tt0 -112.89 115.75 28.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -130.37 123.7 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.382 0.61 . . . . 10.0 112.385 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' E' ' 17' ' ' LEU . 7.3 mp -113.76 117.24 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.057 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.943 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.2 t -119.96 118.44 56.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -120.11 123.19 42.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -107.11 129.11 54.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.153 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.19 109.0 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.801 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -121.15 100.21 6.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.252 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.531 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 35.7 m-20 -103.16 104.3 14.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.351 0.596 . . . . 10.0 109.57 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.658 HG22 ' HA ' ' G' ' 24' ' ' VAL . 17.2 m -93.15 7.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.017 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' G' ' 25' ' ' GLY . . . -117.91 -90.91 1.46 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.023 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -137.83 100.35 4.16 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.77 142.27 58.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.179 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -124.38 -70.29 0.76 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 144.69 106.6 0.53 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 119.831 -1.176 . . . . 10.0 114.277 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -86.06 155.28 20.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.657 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 18.0 tt -104.93 111.82 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.705 0.764 . . . . 10.0 111.717 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.559 HG12 HD12 ' G' ' 32' ' ' ILE . 38.3 mt -114.71 114.26 46.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.676 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.81 111.09 3.44 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.282 -0.727 . . . . 10.0 111.282 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.2 mm? -95.09 72.61 3.38 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.456 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -84.42 70.51 10.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.815 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.2 t -103.31 110.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.243 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -120.81 146.63 17.57 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.538 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 142.54 13.53 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.985 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.8 t -134.96 135.46 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 122.095 0.158 . . . . 10.0 110.631 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.452 HG23 HG13 ' G' ' 40' ' ' VAL . 7.5 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.619 0.247 . . . . 10.0 110.537 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.984 HG12 ' HB ' ' F' ' 12' ' ' VAL . 12.7 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.097 0.475 . . . . 10.0 112.112 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -92.65 100.21 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 103.87 14.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.11 0.481 . . . . 10.0 112.072 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 4.2 tp60 -106.55 96.02 6.16 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.74 110.48 21.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.478 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' H' ' 17' ' ' LEU . 15.3 mt -118.1 113.83 22.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -131.67 131.06 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.3 127.14 42.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.66 119.35 37.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.774 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 117.6 30.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.8 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -120.57 115.09 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.783 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.414 ' O ' HG22 ' F' ' 24' ' ' VAL . 10.3 t70 -110.98 125.51 53.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.898 0.38 . . . . 10.0 110.343 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' F' ' 24' ' ' VAL . 2.9 t -114.7 9.5 7.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.094 0.474 . . . . 10.0 110.406 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' F' ' 25' ' ' GLY . . . -139.81 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.99 -1.1 . . . . 10.0 113.866 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -150.39 103.2 3.12 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.633 -0.334 . . . . 10.0 111.184 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.73 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 21.0 t-20 -62.06 146.86 49.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.364 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' H' ' 28' ' ' LYS . 25.4 tttp -126.18 -84.77 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 169.35 104.24 0.17 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 119.855 -1.164 . . . . 10.0 113.605 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.42 ' HA ' ' CA ' ' H' ' 29' ' ' GLY . . . -84.97 154.67 22.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.548 HD12 HG23 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -101.28 94.41 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.559 HD12 HG12 ' F' ' 32' ' ' ILE . 60.2 mt -104.52 105.14 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 10.0 110.842 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -109.69 92.97 0.73 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.607 HD21 HD13 ' G' ' 17' ' ' LEU . 14.5 tp -87.88 69.93 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 10.0 110.077 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HB2' ' H' ' 35' ' ' MET . 8.6 ptp -81.79 83.36 7.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.8 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.73 HG13 ' HB ' ' H' ' 36' ' ' VAL . 62.8 t -101.72 122.83 54.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.43 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' SD ' ' O' ' 35' ' ' MET . . . -127.26 141.84 12.99 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.52 -0.847 . . . . 10.0 112.172 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.27 120.86 1.21 Allowed Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.577 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.985 HG12 ' HB ' ' F' ' 39' ' ' VAL . 34.7 m -126.85 133.76 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.369 0.604 . . . . 10.0 111.329 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.452 HG13 HG23 ' F' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.611 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -56.25 133.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 123.437 0.461 . . . . 10.0 109.969 178.301 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.69 133.61 53.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -115.65 115.16 25.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.59 112.74 19.3 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.002 0.429 . . . . 10.0 111.459 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -119.44 111.26 17.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.491 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD23 ' G' ' 17' ' ' LEU . 7.2 mp -116.82 111.05 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.307 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -120.28 125.38 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.553 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.01 133.54 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -113.54 127.72 56.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.822 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.05 83.07 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.215 0.531 . . . . 10.0 109.857 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.22 160.41 14.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.217 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -154.67 138.05 15.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.401 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.48 20.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.29 -73.41 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -147.18 94.65 2.43 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.73 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 25.0 t-20 -52.47 126.36 19.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 0.7 OUTLIER -104.82 -90.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.053 0.454 . . . . 10.0 110.366 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' G' ' 30' ' ' ALA . . . 160.61 113.57 0.32 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.669 -0.777 . . . . 10.0 112.319 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.09 158.12 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.868 0.366 . . . . 10.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.548 HG23 HD12 ' G' ' 31' ' ' ILE . 1.7 mp -97.18 99.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.39 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -110.17 107.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.812 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.52 77.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.753 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.86 109.93 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.938 0.399 . . . . 10.0 110.701 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.535 ' HB2' ' HG3' ' G' ' 35' ' ' MET . 12.6 ttm -112.1 113.36 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.73 ' HB ' HG13 ' G' ' 36' ' ' VAL . 82.6 t -98.59 123.71 51.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.6 90.6 0.59 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.022 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.37 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' J' ' 11' ' ' GLU . 2.7 mp0 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.45 178.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.545 0.688 . . . . 10.0 112.534 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -101.59 113.48 26.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.662 -1.154 . . . . 10.0 109.298 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -99.62 101.65 12.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.74 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.57 117.76 35.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.595 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -121.61 115.51 22.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.072 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mp -128.35 106.21 8.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.91 134.09 60.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.262 0.553 . . . . 10.0 112.384 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.68 109.82 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.662 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -92.59 97.52 10.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 10.0 110.749 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.71 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.399 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 0.3 OUTLIER -84.47 164.73 18.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.203 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.87 108.02 6.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.105 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 14.6 t -136.46 -28.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.91 0.386 . . . . 10.0 110.723 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -112.69 -157.79 13.3 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.214 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 1.2 m -65.87 124.8 23.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.787 0.293 . . . . 10.0 110.42 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' J' ' 27' ' ' ASN . 1.0 OUTLIER -77.92 150.61 34.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.279 . . . . 10.0 111.675 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.431 ' HD3' ' HG3' ' J' ' 28' ' ' LYS . 15.9 mtpt -141.58 -90.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.29 121.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.086 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -78.95 168.94 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.039 0.447 . . . . 10.0 112.088 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.593 HD13 ' H ' ' B' ' 42' ' ' ALA . 16.1 mt -112.33 88.53 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.401 -0.963 . . . . 10.0 108.401 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.78 131.1 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 10.0 111.852 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.45 114.01 2.36 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.174 -0.771 . . . . 10.0 111.174 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -105.32 103.99 13.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.731 0.301 . . . . 10.0 111.518 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -116.97 16.61 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.243 0.544 . . . . 10.0 109.583 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' J' ' 36' ' ' VAL . 41.0 t -62.7 133.5 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.089 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -170.03 -173.69 37.63 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.79 -0.719 . . . . 10.0 111.913 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 160.87 24.38 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.27 -0.732 . . . . 10.0 111.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.542 HG13 HG23 ' J' ' 39' ' ' VAL . 8.1 p -152.33 141.63 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.82 0.31 . . . . 10.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.793 HG12 ' HB ' ' J' ' 40' ' ' VAL . 4.1 m -132.71 -173.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 pt -88.06 125.36 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.212 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.483 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HG3' ' I' ' 11' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.936 0.398 . . . . 10.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.715 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.8 t -102.97 107.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -83.6 118.46 23.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.24 87.98 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.847 0.356 . . . . 10.0 110.257 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.2 103.62 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.997 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -114.17 108.68 17.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.697 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' K' ' 17' ' ' LEU . 6.5 mp -110.62 106.36 15.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.842 ' HB ' HG12 ' K' ' 18' ' ' VAL . 28.0 t -115.16 118.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.506 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 79.7 m-85 -113.95 127.62 56.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.625 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -113.27 126.86 55.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.572 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.49 93.56 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.947 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 6.7 pt-20 -100.5 93.43 5.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -78.35 85.73 4.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.968 179.035 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.577 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 47.5 t -83.12 -26.07 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.16 -67.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.011 -1.09 . . . . 10.0 111.433 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 0.0 OUTLIER -156.75 121.91 4.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' I' ' 27' ' ' ASN . 8.4 m120 -65.73 156.73 32.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.35 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.746 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.0 OUTLIER -151.76 -116.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.208 178.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -156.31 87.99 0.12 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 119.848 -1.168 . . . . 10.0 114.009 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.504 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -75.68 141.24 42.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' K' ' 31' ' ' ILE . 1.5 tt -101.82 110.34 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 10.0 111.908 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -117.57 117.89 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.321 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.74 116.1 3.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.638 -0.791 . . . . 10.0 111.352 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' J' ' 19' ' ' PHE . 40.8 mt -107.08 100.22 9.72 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.645 -0.327 . . . . 10.0 111.141 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mmt -107.65 34.33 3.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.192 0.52 . . . . 10.0 110.113 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 22.3 t -72.29 118.7 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.918 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -151.61 137.32 5.92 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.214 -0.993 . . . . 10.0 112.977 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.87 139.0 10.58 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.567 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.591 HG13 HG23 ' K' ' 39' ' ' VAL . 3.6 p -130.0 127.89 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.95 0.405 . . . . 10.0 110.996 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.793 ' HB ' HG12 ' I' ' 40' ' ' VAL . 62.1 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.488 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 31.4 mm-40 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.658 0.265 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . 0.715 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -109.07 114.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 10.0 111.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -79.73 94.07 5.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -84.91 105.67 15.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.423 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -122.81 89.63 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.675 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -105.77 124.48 49.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.088 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' K' ' 34' ' ' LEU . 11.9 mt -123.41 111.71 16.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.408 -0.814 . . . . 10.0 108.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.842 HG12 ' HB ' ' J' ' 18' ' ' VAL . 5.5 m -124.86 130.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.313 0.577 . . . . 10.0 112.425 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -125.84 118.69 26.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.202 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -107.36 109.05 20.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.879 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.64 109.88 19.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 50.8 mt-10 -112.96 117.1 31.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.232 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -108.06 129.95 55.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.704 -0.225 . . . . 10.0 110.538 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 6.8 m -131.83 17.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.127 0.489 . . . . 10.0 109.92 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.4 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.241 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 89.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.536 0.334 . . . . 10.0 110.685 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 58.8 t30 -62.38 151.29 37.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 10.0 111.863 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.746 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 42.0 tttp -131.66 -92.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.067 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -170.7 104.52 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.592 -1.289 . . . . 10.0 113.697 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 139.46 34.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.913 ' HA ' HG23 ' J' ' 31' ' ' ILE . 0.3 OUTLIER -94.72 110.74 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 10.0 112.708 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.23 113.52 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.984 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . 0.932 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -117.76 119.68 4.49 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.598 -0.811 . . . . 10.0 112.735 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.675 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 7.3 mp -101.43 88.19 3.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 10.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.857 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.8 mpp? -94.57 61.15 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.742 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 24.0 t -95.3 115.14 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.033 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . 0.805 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -140.49 149.51 20.97 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.727 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.68 150.96 23.22 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.73 -0.748 . . . . 10.0 112.077 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.703 HG13 ' HB ' ' L' ' 39' ' ' VAL . 4.8 p -136.22 126.4 40.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 10.0 110.547 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.453 HG13 ' HB ' ' L' ' 40' ' ' VAL . 44.6 t -123.45 142.79 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.098 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.622 ' HA ' HG21 ' C' ' 31' ' ' ILE . 20.4 tt -81.32 134.45 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.95 0.405 . . . . 10.0 111.308 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.257 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . 0.489 ' HG3' ' HB3' ' M' ' 11' ' ' GLU . 81.2 mt-10 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 111.519 0.192 . . . . 10.0 111.519 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.536 HG22 ' H ' ' L' ' 13' ' ' HIS . 1.5 p -118.33 166.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . 0.536 ' H ' HG22 ' L' ' 12' ' ' VAL . 82.5 t60 -103.11 133.74 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.184 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -122.59 106.36 10.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -116.67 121.4 41.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.098 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -130.89 117.04 18.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 10.0 111.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.3 115.78 28.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.36 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.898 ' HB ' HG12 ' M' ' 18' ' ' VAL . 18.6 t -122.4 115.39 45.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.486 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -119.12 124.37 46.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -109.66 124.76 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.53 101.6 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -107.21 102.34 11.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.28 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.493 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.0 OUTLIER -96.63 98.24 10.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.125 -179.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.681 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 96.6 t -82.05 -32.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.04 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.53 -140.86 11.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.199 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -81.52 127.4 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.6 OUTLIER -82.64 156.51 23.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 3.0 ttpt -136.78 -81.69 0.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.11 100.67 0.16 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.641 -1.266 . . . . 10.0 113.942 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -89.16 162.26 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.079 -1.082 . . . . 10.0 108.079 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.845 HD11 ' HB ' ' D' ' 39' ' ' VAL . 3.4 tt -121.17 124.2 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.232 -0.587 . . . . 10.0 112.207 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -120.39 110.5 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.263 -0.881 . . . . 10.0 109.81 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.762 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -100.71 109.17 3.61 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.675 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -94.89 78.06 3.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.828 0.347 . . . . 10.0 110.7 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.966 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 4.9 mpp? -90.72 77.83 6.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.285 0.564 . . . . 10.0 109.784 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 23.9 t -105.83 125.58 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.09 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -140.31 158.51 25.95 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.341 -0.933 . . . . 10.0 112.727 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.71 138.54 5.48 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 1.051 HG13 HG12 ' M' ' 39' ' ' VAL . 0.3 OUTLIER -138.07 136.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.192 0.52 . . . . 10.0 112.144 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.453 ' HB ' HG13 ' K' ' 40' ' ' VAL . 69.5 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.079 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . 0.489 ' HB3' ' HG3' ' L' ' 11' ' ' GLU . 71.3 mm-40 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.167 0.508 . . . . 10.0 111.251 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . 0.416 ' N ' HG21 ' N' ' 12' ' ' VAL . 20.5 m -115.11 138.32 45.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.343 0.592 . . . . 10.0 112.284 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -79.67 111.43 15.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.873 -1.158 . . . . 10.0 107.873 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.07 97.41 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 10.0 111.028 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -104.3 108.88 20.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.609 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . 0.56 ' HB3' ' HG2' ' N' ' 16' ' ' LYS . 82.6 tttt -122.66 121.53 36.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.273 0.559 . . . . 10.0 111.59 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -121.34 114.16 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.4 OUTLIER -126.2 124.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.307 0.575 . . . . 10.0 112.35 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.608 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 20.2 m-85 -123.93 128.74 49.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.448 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -117.95 110.43 17.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.267 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.8 117.47 31.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -126.93 114.66 18.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.473 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.32 136.68 47.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.493 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.681 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -124.01 16.63 4.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.679 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.86 -66.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.897 -1.144 . . . . 10.0 113.776 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 33.2 m -158.16 98.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.582 -0.364 . . . . 10.0 110.772 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.16 140.89 43.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.317 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' L' ' 28' ' ' LYS . 9.0 mttp -114.16 -100.47 0.43 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.36 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -164.16 90.51 0.1 Allowed Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.801 -1.19 . . . . 10.0 113.654 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -80.0 137.06 36.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.865 HD11 HG23 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -96.08 107.02 19.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.385 0.612 . . . . 10.0 111.429 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.09 128.61 67.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.725 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 0.928 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -132.07 121.64 3.09 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.293 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.4 mp -108.15 98.5 8.04 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.557 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.8 mtm -105.06 93.04 4.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.484 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' N' ' 36' ' ' VAL . 2.1 p -127.12 121.25 57.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.281 0.563 . . . . 10.0 111.057 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -144.68 172.44 25.61 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.114 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.19 9.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.076 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 1.051 HG12 HG13 ' L' ' 39' ' ' VAL . 32.8 m -128.35 132.13 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.806 HG12 ' HB ' ' N' ' 40' ' ' VAL . 27.3 m -148.0 165.89 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.19 0.519 . . . . 10.0 112.05 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.457 HD11 HG21 ' D' ' 31' ' ' ILE . 4.5 mm -138.64 113.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.568 -179.564 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.369 0.604 . . . . 10.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.458 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.5 OUTLIER -76.29 140.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.667 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.27 136.46 54.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.792 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.47 71.65 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.229 -0.896 . . . . 10.0 108.947 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . 0.74 HE22 HG11 ' N' ' 36' ' ' VAL . 23.1 tt0 -86.17 115.13 23.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' M' ' 16' ' ' LYS . 17.4 mttt -129.31 113.56 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.263 0.554 . . . . 10.0 110.928 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.701 HD22 HD13 ' N' ' 34' ' ' LEU . 6.0 mp -113.03 129.26 56.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.726 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 3.3 t -127.18 119.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.905 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -119.6 124.81 47.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.724 0.297 . . . . 10.0 110.592 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -106.89 124.32 49.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.687 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 93.36 3.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.149 -0.685 . . . . 10.0 109.149 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -106.13 99.53 9.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.33 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.538 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 26.6 m-20 -97.01 105.95 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.233 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.558 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 85.6 t -82.35 -26.64 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.273 0.559 . . . . 10.0 109.925 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.89 -86.56 1.88 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.201 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.6 m -162.4 128.88 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.538 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.8 p30 -92.12 158.8 15.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 10.0 111.172 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 1.038 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 32.5 mttm -116.8 -75.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.434 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -168.82 80.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 119.92 -1.133 . . . . 10.0 113.73 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.441 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -85.21 132.51 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.709 HD12 HG13 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -97.33 119.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.57 0.7 . . . . 10.0 112.148 -179.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.566 HG12 HD12 ' O' ' 32' ' ' ILE . 74.1 mt -112.79 101.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.972 -1.013 . . . . 10.0 108.474 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.682 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -108.25 117.5 5.1 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.977 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.701 HD13 HD22 ' N' ' 17' ' ' LEU . 49.4 mt -109.19 107.36 17.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.554 ' O ' ' HA ' ' O' ' 35' ' ' MET . 5.8 mtm -115.63 101.19 8.62 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.74 HG11 HE22 ' N' ' 15' ' ' GLN . 1.6 p -132.29 131.03 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.127 0.489 . . . . 10.0 111.669 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' M' ' 37' ' ' GLY . . . -147.03 136.99 6.4 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.648 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.1 154.38 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.783 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 20.1 m -135.24 132.77 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.967 0.413 . . . . 10.0 111.904 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.806 ' HB ' HG12 ' M' ' 40' ' ' VAL . 69.3 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.78 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.082 0.468 . . . . 10.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -69.96 158.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 10.0 112.343 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -99.54 100.36 11.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.6 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -90.65 111.17 22.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.428 . . . . 10.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.0 105.07 11.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.776 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 1.7 tppp? -110.97 104.17 12.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.689 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.626 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -109.67 115.09 29.24 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.654 -0.869 . . . . 10.0 108.654 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 6.4 p -134.99 125.44 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 112.535 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.4 132.11 55.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.292 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.61 109.13 20.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.351 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.97 97.63 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.064 0.459 . . . . 10.0 109.836 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.05 127.7 56.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.911 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.3 t70 -111.94 145.57 39.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.647 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.1 t -126.78 8.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 10.0 110.439 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' N' ' 25' ' ' GLY . . . -148.34 -64.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.431 -0.89 . . . . 10.0 113.186 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.71 100.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.855 0.359 . . . . 10.0 110.838 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.575 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 38.0 t30 -78.86 122.69 26.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.61 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 1.038 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 28.3 tttm -88.37 -72.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.62 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 147.27 124.62 1.53 Allowed Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.297 -0.954 . . . . 10.0 112.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -105.17 168.93 8.74 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.338 -0.615 . . . . 10.0 109.338 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' P' ' 31' ' ' ILE . 2.6 pt -103.73 94.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.909 0.861 . . . . 10.0 110.85 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.566 HD12 HG12 ' N' ' 32' ' ' ILE . 61.4 mt -90.23 111.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.855 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.53 111.86 1.95 Allowed Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.182 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.11 101.39 10.19 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.554 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.6 mtm -113.24 98.38 7.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.176 0.512 . . . . 10.0 110.166 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.4 m -125.77 159.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.03 -179.28 48.01 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.391 -0.909 . . . . 10.0 112.09 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -170.66 152.58 19.06 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.459 -0.877 . . . . 10.0 112.939 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' P' ' 39' ' ' VAL . 2.4 m -126.81 145.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.585 HG13 HG22 ' N' ' 40' ' ' VAL . 2.7 p . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 10.0 111.07 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -111.54 97.69 6.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.851 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -115.68 119.1 34.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 14.5 ptmt -136.0 117.18 14.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.106 0.479 . . . . 10.0 111.627 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.4 mp -113.73 105.06 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.92 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.14 117.63 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.074 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -121.48 138.43 54.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.2 128.73 56.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.447 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.39 72.26 1.43 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.173 0.511 . . . . 10.0 109.962 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.09 130.15 53.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 6.1 t70 -133.14 125.97 30.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 10.0 110.262 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.56 -5.2 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.342 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.99 -64.44 0.37 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.507 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 20.2 m -157.05 113.64 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.575 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.1 m120 -73.95 77.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -55.18 -54.09 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.096 0.474 . . . . 10.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 91.96 132.78 5.83 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.73 -0.747 . . . . 10.0 112.783 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.74 -152.41 0.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.285 -0.265 . . . . 10.0 110.285 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.641 ' HA ' HG13 ' O' ' 31' ' ' ILE . 45.9 pt -104.37 125.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.898 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' O' ' 32' ' ' ILE . 25.7 mt -126.53 88.78 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.66 108.31 2.62 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.571 -0.824 . . . . 10.0 113.076 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' P' ' 34' ' ' LEU . 3.2 mm? -108.94 111.38 23.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.665 0.269 . . . . 10.0 110.441 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' O' ' 35' ' ' MET . 2.9 mpt? -115.77 103.57 10.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.94 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' O' ' 36' ' ' VAL . 40.5 t -126.88 114.82 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.692 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.468 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -131.45 156.6 21.92 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.081 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -138.14 154.08 22.66 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.409 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' O' ' 39' ' ' VAL . 18.5 m -130.63 131.24 64.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 10.0 111.034 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 29.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.703 -0.665 . . . . 10.0 110.379 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -87.53 109.89 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.611 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 51.9 m170 -98.27 93.27 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 28.6 tt0 -106.87 126.77 52.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.861 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -136.23 123.23 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.91 116.79 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 HG13 ' B' ' 18' ' ' VAL . 1.3 m -129.46 127.68 65.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.33 0.586 . . . . 10.0 112.169 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -112.14 100.54 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.33 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.84 97.68 11.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.582 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.57 131.78 47.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.083 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.971 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.4 mm-40 -88.65 153.56 21.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.998 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -128.8 94.48 3.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.608 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.4 t -128.33 -41.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.789 0.328 . . . . 10.0 111.068 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -96.62 -159.01 31.69 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.202 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -63.35 120.51 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.389 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.78 148.18 25.8 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.677 0.992 . . . . 10.0 113.677 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -160.78 166.82 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.169 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' B' ' 29' ' ' GLY . . . -101.48 155.92 18.95 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.241 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.1 137.67 46.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD13 ' B' ' 31' ' ' ILE . 21.5 mm -92.41 93.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.083 0.468 . . . . 10.0 110.253 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.868 HG22 ' HB ' ' B' ' 32' ' ' ILE . 7.8 pt -120.53 145.98 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.726 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA3' HG11 ' I' ' 39' ' ' VAL . . . -131.97 116.35 1.84 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.545 -0.622 . . . . 10.0 111.545 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' B' ' 34' ' ' LEU . 52.0 mt -100.01 94.11 6.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 10.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -107.23 23.29 14.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.474 0.654 . . . . 10.0 109.675 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' B' ' 36' ' ' VAL . 16.5 m -69.79 139.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 10.0 111.653 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -172.39 161.27 32.87 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.424 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.67 126.24 1.96 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG13 HG23 ' B' ' 39' ' ' VAL . 3.7 p -122.71 123.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.056 0.455 . . . . 10.0 111.02 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.31 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.046 0.451 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.864 ' HB ' HG12 ' C' ' 12' ' ' VAL . 4.0 t -106.91 90.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -72.4 116.77 13.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.463 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.611 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 21.2 m170 -112.38 92.88 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.2 tt0 -113.78 109.03 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.983 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.59 122.74 38.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 10.0 111.839 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.06 105.53 13.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.973 -1.012 . . . . 10.0 109.107 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 18' ' ' VAL . 10.5 t -111.37 120.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.6 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.14 121.53 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.07 119.66 40.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.374 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.67 100.07 5.18 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.971 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 30.5 mt-10 -98.09 92.84 5.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -83.17 83.87 7.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.033 0.444 . . . . 10.0 110.625 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.2 t -89.06 -25.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.027 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.26 -64.59 1.39 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.118 -1.039 . . . . 10.0 111.118 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.479 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 96.3 p -162.69 121.7 2.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.618 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 9.1 m120 -60.88 146.83 45.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.596 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' C' ' 28' ' ' LYS . 19.9 tptt -144.74 -36.25 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 29' ' ' GLY . . . 94.09 136.8 8.31 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.526 -0.845 . . . . 10.0 111.877 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 162.03 13.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.676 0.274 . . . . 10.0 111.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.47 HD13 ' HB ' ' A' ' 31' ' ' ILE . 22.7 mm -101.24 92.81 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.892 -1.151 . . . . 10.0 107.892 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.868 ' HB ' HG22 ' A' ' 32' ' ' ILE . 39.7 mt -116.31 126.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.368 0.604 . . . . 10.0 111.978 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.32 123.24 5.59 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.465 -0.788 . . . . 10.0 111.564 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' A' ' 34' ' ' LEU . 3.2 mm? -107.72 100.92 10.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -110.21 32.39 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 10.0 110.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HB ' HG12 ' A' ' 36' ' ' VAL . 24.0 t -72.79 101.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.787 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -133.68 143.73 15.49 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.315 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.43 146.49 17.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.027 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 39' ' ' VAL . 11.5 p -134.03 134.52 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.969 0.414 . . . . 10.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.701 HG22 ' HB ' ' C' ' 40' ' ' VAL . 79.6 t -133.9 133.23 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.879 ' HB ' HG21 ' J' ' 31' ' ' ILE . 16.4 tt -67.83 129.34 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.957 0.408 . . . . 10.0 111.1 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.882 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.71 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.305 0.574 . . . . 10.0 111.258 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.864 HG12 ' HB ' ' B' ' 12' ' ' VAL . 2.8 m -107.54 110.77 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.125 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -77.58 99.55 5.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.525 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 24.2 m170 -91.66 107.52 19.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.325 0.584 . . . . 10.0 111.617 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.52 95.45 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.265 -0.879 . . . . 10.0 109.033 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.509 ' HD3' ' HD2' ' D' ' 16' ' ' LYS . 87.9 tttt -108.4 121.96 46.03 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.47 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' D' ' 17' ' ' LEU . 1.4 mt -120.25 114.25 21.62 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 7.2 p -133.13 126.96 54.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.598 0.713 . . . . 10.0 112.283 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.954 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.39 110.9 22.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.97 103.73 10.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -108.48 112.52 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.482 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.762 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.4 OUTLIER -104.18 130.16 51.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.572 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.5 m -134.31 18.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 10.0 109.563 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.38 -66.15 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.338 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -170.62 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.086 0.554 . . . . 10.0 109.719 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.554 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 60.6 t30 -58.18 144.31 41.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.121 0.486 . . . . 10.0 112.145 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.688 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 56.0 tttp -132.09 -13.63 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.92 148.8 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.495 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.404 ' HB2' ' HA2' ' D' ' 29' ' ' GLY . . . -129.26 166.24 19.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.775 HD12 HG22 ' K' ' 39' ' ' VAL . 1.5 pt -100.89 121.16 51.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.517 0.675 . . . . 10.0 110.694 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.4 mt -129.98 111.64 21.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.822 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.64 117.66 4.54 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.625 -0.797 . . . . 10.0 111.713 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.6 mp -104.78 87.07 2.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.954 0.407 . . . . 10.0 110.494 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' D' ' 35' ' ' MET . 0.8 OUTLIER -95.15 50.96 1.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.995 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 22.1 t -83.58 108.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.082 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -126.53 142.53 13.65 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.863 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.65 152.34 19.25 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.793 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.1 t -143.2 132.93 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.877 0.37 . . . . 10.0 111.262 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.701 ' HB ' HG22 ' B' ' 40' ' ' VAL . 68.9 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.81 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.71 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.2 p -131.86 164.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . 0.425 ' H ' HG22 ' D' ' 12' ' ' VAL . 3.6 t60 -88.37 133.24 34.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 10.0 111.68 -178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 10.1 m80 -129.21 89.53 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.675 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -120.55 135.7 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.696 0.628 . . . . 10.0 112.696 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.509 ' HD2' ' HD3' ' C' ' 16' ' ' LYS . 37.1 ttpt -136.34 124.11 22.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.766 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' C' ' 17' ' ' LEU . 7.0 mp -110.64 114.25 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.238 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.792 ' HB ' HG12 ' E' ' 18' ' ' VAL . 18.1 t -119.56 116.54 51.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.478 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -115.13 124.77 52.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.677 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -107.36 121.28 44.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.58 99.09 5.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -104.92 93.38 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.79 115.86 24.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.482 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.492 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.1 t -110.16 -29.82 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.802 0.334 . . . . 10.0 111.491 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.95 -80.95 1.35 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.257 -0.973 . . . . 10.0 112.81 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -149.86 115.15 5.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.762 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -64.4 150.97 45.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.662 ' HA ' ' HD3' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -138.2 -40.32 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.685 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' C' ' 30' ' ' ALA . . . 111.63 114.31 3.41 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.29 -0.957 . . . . 10.0 114.203 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.582 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -98.71 172.39 7.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 4.7 pt -113.48 115.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.761 0.791 . . . . 10.0 111.065 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.422 HG12 HD11 ' E' ' 32' ' ' ILE . 27.2 mt -116.89 117.64 56.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.018 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.758 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -112.72 112.5 3.0 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.056 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.4 mm? -100.16 74.1 1.75 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 10.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.716 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 9.3 mtm -89.23 69.12 8.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 34.9 t -100.1 125.37 53.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.996 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.37 155.48 25.21 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.645 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' E' ' 38' ' ' GLY . . . -161.39 132.96 3.0 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.655 -0.783 . . . . 10.0 111.844 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 1.002 HG23 HD11 ' M' ' 31' ' ' ILE . 6.3 m -134.99 149.92 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.572 0.225 . . . . 10.0 111.372 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.611 HG23 ' HB ' ' E' ' 40' ' ' VAL . 12.1 p -149.89 142.35 17.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.195 0.521 . . . . 10.0 111.475 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.404 HD12 ' O ' ' M' ' 29' ' ' GLY . 6.7 tt -72.02 138.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.843 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.299 179.517 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' F' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.614 0.721 . . . . 10.0 110.539 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -90.29 157.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.897 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.92 97.48 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.86 111.52 22.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.061 0.458 . . . . 10.0 110.543 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -124.68 103.83 8.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.997 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -114.31 121.36 43.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.53 HD13 HD23 ' E' ' 34' ' ' LEU . 25.1 mt -119.87 113.61 20.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.4 OUTLIER -126.53 125.59 67.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -178.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -121.28 118.4 29.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.407 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -107.83 112.73 25.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.69 0.281 . . . . 10.0 110.883 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -125.78 110.73 14.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.34 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -118.66 133.49 55.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.895 0.378 . . . . 10.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.457 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.3 OUTLIER -114.25 146.9 39.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.605 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.425 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.4 t -137.69 6.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.637 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.52 -68.93 0.07 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.482 -0.866 . . . . 10.0 113.251 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -163.41 115.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.178 0.489 . . . . 10.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.52 159.58 34.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.54 0.686 . . . . 10.0 112.039 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -136.09 -116.76 0.17 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.335 178.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -153.87 93.39 0.14 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.15 -1.024 . . . . 10.0 113.015 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -73.99 149.08 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 9.8 mt -111.7 90.32 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.422 HD11 HG12 ' D' ' 32' ' ' ILE . 11.3 pt -112.61 114.73 47.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 10.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.411 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -117.7 109.58 1.87 Allowed Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.484 -0.865 . . . . 10.0 113.168 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.767 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 6.8 mp -93.82 82.91 4.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ptp -97.7 75.17 2.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.537 0.684 . . . . 10.0 110.646 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' F' ' 36' ' ' VAL . 27.2 m -106.78 136.52 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.991 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.896 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -150.78 140.55 7.99 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.155 -1.022 . . . . 10.0 113.033 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . 0.402 ' O ' ' HA2' ' D' ' 38' ' ' GLY . . . -127.01 141.19 12.44 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 1.075 HG21 ' HA3' ' M' ' 33' ' ' GLY . 39.4 t -131.5 123.68 53.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.949 0.404 . . . . 10.0 111.621 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' D' ' 40' ' ' VAL . 95.2 t . . . . . 0 C--O 1.237 0.417 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.911 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.067 0.461 . . . . 10.0 110.246 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.766 ' HB ' HG12 ' G' ' 12' ' ' VAL . 8.8 t -76.0 109.1 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' F' ' 15' ' ' GLN . 7.9 t60 -88.49 118.69 28.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.57 0.224 . . . . 10.0 110.73 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -111.14 86.57 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.148 0.499 . . . . 10.0 110.143 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' F' ' 13' ' ' HIS . 4.6 tt0 -103.61 114.72 29.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.385 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' HG2' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -136.86 120.79 17.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.367 0.603 . . . . 10.0 112.304 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.8 mp -115.82 119.12 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.628 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.79 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.5 t -121.39 121.39 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.391 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.4 127.35 53.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.06 122.23 46.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' E' ' 21' ' ' ALA . . . -131.83 95.39 3.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.659 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -108.37 101.86 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.377 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.538 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 72.6 m-20 -102.55 111.39 23.68 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.5 HG22 ' O ' ' G' ' 23' ' ' ASP . 17.0 m -102.51 -1.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.69 -87.94 1.62 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.174 -1.013 . . . . 10.0 112.861 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.42 101.52 5.19 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.85 147.01 51.38 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.2 0.524 . . . . 10.0 111.757 -178.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -131.95 -57.78 0.97 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 118.72 120.58 2.96 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.156 -1.021 . . . . 10.0 112.857 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -92.58 156.73 16.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.612 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 19.5 tt -105.08 106.11 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.843 0.83 . . . . 10.0 110.848 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.448 HG12 HD12 ' G' ' 32' ' ' ILE . 44.0 mt -115.2 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.595 -1.184 . . . . 10.0 110.714 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.24 112.11 4.03 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.8 mm? -91.69 72.74 5.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.664 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.5 mpt? -86.99 66.93 9.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.665 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.7 t -101.84 123.06 54.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.201 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -134.26 156.05 22.19 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.604 -0.808 . . . . 10.0 112.886 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.62 145.55 15.41 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.803 -0.519 . . . . 10.0 111.803 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.976 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.0 t -144.87 138.39 22.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 10.0 111.178 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.599 HG23 HG13 ' G' ' 40' ' ' VAL . 9.8 p . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' F' ' 12' ' ' VAL . 5.8 m . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.17 104.8 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.817 -1.179 . . . . 10.0 107.817 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -93.09 119.91 32.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -122.94 89.29 3.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HG3' ' F' ' 16' ' ' LYS . 0.2 OUTLIER -106.01 112.43 25.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.562 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.583 ' HB2' ' HG ' ' F' ' 17' ' ' LEU . 56.0 mt -118.75 117.92 30.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.79 HG12 ' HB ' ' F' ' 18' ' ' VAL . 1.6 m -129.73 129.49 66.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.305 0.574 . . . . 10.0 112.044 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -125.13 119.49 28.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.844 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -101.8 116.39 32.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.74 112.95 12.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.036 0.446 . . . . 10.0 109.93 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.704 ' HG2' ' HB3' ' H' ' 22' ' ' GLU . 4.6 pt-20 -126.91 134.12 50.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.017 0.437 . . . . 10.0 111.648 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.585 ' HA ' ' OD1' ' H' ' 23' ' ' ASP . 0.1 OUTLIER -104.3 146.11 29.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.54 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 79.2 t -127.69 -20.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.178 0.514 . . . . 10.0 110.787 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -121.14 -65.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.58 -0.819 . . . . 10.0 113.134 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -153.1 110.68 3.55 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.565 -0.374 . . . . 10.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.639 ' HA ' ' CB ' ' H' ' 27' ' ' ASN . 23.9 t-20 -64.77 152.21 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.535 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' H' ' 28' ' ' LYS . 59.2 tttp -131.65 -50.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.465 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 113.18 122.45 3.92 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.162 -1.018 . . . . 10.0 112.722 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.775 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -93.36 166.91 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.768 0.318 . . . . 10.0 111.022 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' O' ' 39' ' ' VAL . 0.0 OUTLIER -106.39 90.22 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 179.156 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' F' ' 32' ' ' ILE . 13.3 mt -107.73 116.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.189 0.518 . . . . 10.0 111.396 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 102.63 1.09 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.708 -0.758 . . . . 10.0 111.591 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.787 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 5.6 mp -89.36 68.58 7.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.949 0.404 . . . . 10.0 110.758 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.474 ' HA ' ' HB2' ' F' ' 35' ' ' MET . 6.0 ptp -81.17 80.07 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.844 0.831 . . . . 10.0 110.208 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' H' ' 36' ' ' VAL . 42.0 t -105.23 111.64 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.413 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.89 118.63 3.51 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.636 -0.792 . . . . 10.0 111.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 121.09 3.97 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.701 -0.761 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.976 HG12 ' HB ' ' F' ' 39' ' ' VAL . 35.9 m -124.76 155.0 32.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.264 0.554 . . . . 10.0 111.68 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' F' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.565 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.19 136.9 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.877 0.37 . . . . 10.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.26 123.5 18.36 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.882 1.067 . . . . 10.0 113.882 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -121.13 98.95 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.141 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.36 143.68 33.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.939 0.399 . . . . 10.0 111.091 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -152.89 116.37 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.628 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.64 119.09 33.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.696 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.32 117.69 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -118.11 144.79 45.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 10.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -125.26 120.96 32.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.623 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.7 81.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.719 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.704 ' HB3' ' HG2' ' G' ' 22' ' ' GLU . 0.0 OUTLIER -109.84 151.26 27.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.197 -179.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.585 ' OD1' ' HA ' ' G' ' 23' ' ' ASP . 0.6 OUTLIER -135.64 155.86 49.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.103 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 21.7 t -120.47 -33.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.337 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -93.78 -75.91 1.31 Allowed Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.497 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -136.29 133.56 37.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.639 ' CB ' ' HA ' ' G' ' 27' ' ' ASN . 9.1 t-20 -74.58 147.94 41.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' G' ' 28' ' ' LYS . 21.5 mtpt -130.89 -172.3 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.132 0.492 . . . . 10.0 111.64 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.775 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -108.19 92.6 0.75 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.459 -0.792 . . . . 10.0 112.358 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.14 139.31 42.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.452 HG12 HD12 ' G' ' 31' ' ' ILE . 4.2 mt -98.05 107.61 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -125.44 113.04 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 10.0 111.469 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.01 99.33 1.51 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.286 -0.726 . . . . 10.0 111.286 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.787 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.6 mm? -84.08 69.98 10.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 10.0 111.493 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.441 ' HE3' ' HG3' ' G' ' 35' ' ' MET . 4.5 tpt -79.34 87.05 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.826 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' G' ' 36' ' ' VAL . 38.7 t -109.65 112.86 42.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.408 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.876 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -121.79 126.2 6.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 10.0 111.459 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.047 -179.701 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.551 ' HA ' HG22 ' J' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.954 0.407 . . . . 10.0 110.689 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.81 156.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -79.94 107.25 12.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.285 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' J' ' 14' ' ' HIS . 35.5 m170 -96.72 91.45 5.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.344 0.592 . . . . 10.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -106.86 123.45 48.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.392 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -130.41 127.82 40.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.29 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' J' ' 17' ' ' LEU . 3.3 mp -126.22 121.23 32.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -143.48 128.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.355 0.598 . . . . 10.0 112.229 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.71 107.16 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.361 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -89.98 86.82 6.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 116.41 29.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.949 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 47.4 mm-40 -81.43 157.13 25.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.2 0.524 . . . . 10.0 111.476 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.06 107.28 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.926 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 13.0 t -136.77 -33.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.775 -0.37 . . . . 10.0 111.477 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -108.98 -151.86 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.453 -0.879 . . . . 10.0 113.12 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.8 OUTLIER -64.66 121.61 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 146.62 54.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.761 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.2 mtpt -156.16 -179.06 7.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.199 -0.91 . . . . 10.0 109.09 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.09 141.26 16.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.159 -1.02 . . . . 10.0 113.08 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.43 130.77 42.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.762 0.315 . . . . 10.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' J' ' 31' ' ' ILE . 12.8 mt -89.77 97.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' J' ' 32' ' ' ILE . 10.2 mt -117.35 136.05 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.432 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG11 ' A' ' 39' ' ' VAL . . . -115.99 115.02 3.25 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.461 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.49 88.63 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 10.0 111.845 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.47 12.53 37.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.627 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' J' ' 36' ' ' VAL . 12.5 m -63.39 145.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.427 -0.806 . . . . 10.0 111.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 173.66 -163.41 34.63 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.927 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.52 160.45 21.96 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.814 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.673 HG13 HG23 ' J' ' 39' ' ' VAL . 2.7 p -145.12 120.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.404 0.621 . . . . 10.0 111.153 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' J' ' 40' ' ' VAL . 10.7 t -127.01 157.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 pt -65.21 112.06 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 10.0 111.309 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.595 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.829 0.347 . . . . 10.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' K' ' 12' ' ' VAL . 18.8 t -93.27 93.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.05 117.96 16.45 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.881 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' I' ' 14' ' ' HIS . 2.7 m170 -110.71 98.29 7.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.894 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HG2' HD11 ' J' ' 17' ' ' LEU . 5.0 tt0 -113.72 106.35 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.482 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -115.02 109.06 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.79 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.2 mp -107.73 99.91 9.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.764 ' HB ' HG12 ' K' ' 18' ' ' VAL . 14.0 t -112.73 119.87 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.09 0.471 . . . . 10.0 110.838 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -110.51 126.02 53.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.998 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -140.94 99.83 3.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.949 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.2 pt-20 -102.47 90.9 4.02 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.694 0.627 . . . . 10.0 112.694 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 1.0 OUTLIER -76.19 84.12 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.046 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 31.9 t -86.56 -15.18 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.254 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -67.52 0.88 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.171 -1.014 . . . . 10.0 110.965 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 73.8 m -157.07 118.43 3.71 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' I' ' 26' ' ' SER . 9.6 m120 -62.92 146.5 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.237 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.761 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 2.1 ttmt -144.88 -28.72 0.47 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.619 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.78 125.78 3.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.354 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.55 156.19 17.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.879 HG21 ' HB ' ' B' ' 41' ' ' ILE . 2.4 tp -102.62 92.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.708 0.766 . . . . 10.0 109.533 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' I' ' 32' ' ' ILE . 11.5 mm -106.58 131.91 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.433 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' B' ' 39' ' ' VAL . . . -123.97 116.15 2.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.862 -0.895 . . . . 10.0 110.862 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 mt -111.48 106.68 15.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.866 0.333 . . . . 10.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.93 43.19 2.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.453 0.644 . . . . 10.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 46.5 t -79.27 110.97 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.345 -0.843 . . . . 10.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.68 142.95 11.13 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.684 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.64 148.57 19.69 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.97 -0.633 . . . . 10.0 111.72 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' K' ' 39' ' ' VAL . 4.5 p -131.76 130.91 62.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.965 0.412 . . . . 10.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.799 ' HB ' HG13 ' I' ' 40' ' ' VAL . 54.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.286 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.542 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 49.5 mm-40 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -128.35 103.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -74.16 100.85 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 6.2 m170 -93.31 106.55 18.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.95 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.72 100.39 6.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.526 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 82.3 tttt -110.71 129.97 55.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.338 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' L' ' 17' ' ' LEU . 1.4 mt -128.89 110.24 11.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.764 HG12 ' HB ' ' J' ' 18' ' ' VAL . 2.7 m -125.71 129.44 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.309 0.576 . . . . 10.0 112.073 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.83 121.0 35.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.04 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -108.48 101.34 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' J' ' 21' ' ' ALA . . . -106.84 112.32 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 68.6 mt-10 -113.49 115.85 28.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.521 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.1 t70 -100.68 124.48 46.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.921 0.391 . . . . 10.0 110.185 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.93 5.24 5.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.004 0.431 . . . . 10.0 110.077 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.94 -67.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.569 -0.824 . . . . 10.0 113.242 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -163.26 94.02 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.5 t30 -64.2 145.76 55.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 10.0 111.548 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 44.5 tttm -130.31 -10.35 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 140.14 7.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.52 156.58 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.743 HG23 ' HB ' ' L' ' 31' ' ' ILE . 0.2 OUTLIER -100.37 113.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.493 0.663 . . . . 10.0 111.702 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.7 mt -124.8 123.14 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.547 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . 0.793 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -121.06 127.83 7.14 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.632 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.612 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 10.4 mp -108.08 93.9 4.78 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.526 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 1.8 mpt? -96.76 48.49 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.169 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' L' ' 36' ' ' VAL . 17.0 t -83.66 106.14 13.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.411 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -131.25 148.17 18.81 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.338 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.37 154.28 25.86 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.775 HG22 HD12 ' C' ' 31' ' ' ILE . 7.5 p -139.59 127.08 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.867 0.365 . . . . 10.0 110.516 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' L' ' 40' ' ' VAL . 46.4 t -127.27 143.24 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.819 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' C' ' 31' ' ' ILE . 16.3 tt -66.89 142.09 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.86 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.729 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . 0.987 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 49.9 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.243 0.068 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.614 HG22 ' H ' ' L' ' 13' ' ' HIS . 3.6 p -147.44 172.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 10.0 112.181 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . 0.614 ' H ' HG22 ' L' ' 12' ' ' VAL . 2.8 t60 -92.66 136.81 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.143 0.497 . . . . 10.0 112.112 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . 0.532 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 15.3 m80 -130.23 88.55 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . 0.559 HE22 HG11 ' L' ' 36' ' ' VAL . 39.8 tt0 -113.2 129.39 56.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 36.5 ttpt -137.82 121.4 17.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' K' ' 17' ' ' LEU . 6.8 mp -112.33 119.65 39.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.614 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' M' ' 18' ' ' VAL . 14.7 t -124.08 115.24 44.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.349 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -116.19 127.29 54.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 25.8 m-85 -109.71 129.17 55.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.192 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 90.84 2.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.85 91.16 4.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.386 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.585 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.3 m-20 -90.2 90.88 8.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.394 0.616 . . . . 10.0 110.89 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 59.4 t -80.35 -19.79 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.788 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.07 -139.15 9.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.181 -1.009 . . . . 10.0 112.146 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 120.78 26.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.594 ' N ' HD22 ' L' ' 27' ' ' ASN . 0.6 OUTLIER -78.44 152.48 32.12 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 -179.237 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 0.9 OUTLIER -138.03 -32.64 0.73 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.932 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.65 114.98 3.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.263 -0.97 . . . . 10.0 114.583 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.604 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -97.3 177.64 5.49 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.911 HD11 ' HB ' ' D' ' 39' ' ' VAL . 2.3 tt -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 10.0 112.279 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.44 122.14 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.432 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -110.73 107.92 2.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.561 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -95.22 75.04 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.745 0.307 . . . . 10.0 110.792 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.996 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.2 mpp? -89.11 75.14 7.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.37 0.605 . . . . 10.0 110.387 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 20.1 t -106.62 130.31 58.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.331 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.716 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.49 165.79 27.43 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.086 -1.054 . . . . 10.0 112.858 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.16 137.25 4.56 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 1.008 HG13 HG12 ' M' ' 39' ' ' VAL . 0.4 OUTLIER -137.16 138.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.234 0.517 . . . . 10.0 112.246 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 70.7 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.438 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . 0.987 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 37.7 mm-40 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.615 0.721 . . . . 10.0 110.118 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . 0.417 HG12 ' H ' ' L' ' 12' ' ' VAL . 28.5 m -107.88 143.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.162 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.09 102.06 12.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.48 114.48 26.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.563 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -124.09 105.37 9.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.074 0.464 . . . . 10.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.48 120.58 41.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.88 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.421 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 22.8 mt -121.2 110.88 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.4 m -125.38 126.15 70.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -122.95 120.18 32.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.5 -0.773 . . . . 10.0 108.929 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 71.4 m-85 -109.98 108.35 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.62 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.72 119.22 37.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.33 119.2 31.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.69 133.9 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.525 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.4 t -127.41 16.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.97 -72.08 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.167 -1.016 . . . . 10.0 113.531 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -157.59 99.79 1.75 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.637 -0.331 . . . . 10.0 111.576 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . 0.422 HD22 ' CG ' ' L' ' 23' ' ' ASP . 28.0 t-20 -69.32 149.66 48.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.523 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 4.5 mttp -121.13 -91.09 0.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.604 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -169.05 71.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.668 -1.253 . . . . 10.0 113.788 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HB1' ' L' ' 30' ' ' ALA . . . -72.48 122.79 21.88 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 1.002 HD11 HG23 ' D' ' 39' ' ' VAL . 13.6 tt -97.47 119.75 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 121.61 0.719 . . . . 10.0 112.644 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.819 HG22 ' HB ' ' N' ' 32' ' ' ILE . 7.0 pt -120.23 130.54 74.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.966 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 1.075 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -122.43 125.6 6.1 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.496 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.6 mp -108.58 82.76 1.66 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.125 0.488 . . . . 10.0 110.352 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.896 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 5.4 mpp? -91.3 91.82 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.912 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.486 HG13 HG13 ' L' ' 36' ' ' VAL . 1.5 p -128.58 125.94 64.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.87 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -149.94 173.57 29.62 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.813 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.82 147.1 9.17 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.16 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 1.008 HG12 HG13 ' L' ' 39' ' ' VAL . 35.7 m -128.15 133.03 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' N' ' 40' ' ' VAL . 25.4 m -146.24 166.68 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 10.0 111.656 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.479 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.6 mm -142.54 126.51 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.107 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' O' ' 12' ' ' VAL . 10.3 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.488 0.661 . . . . 10.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.409 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.0 OUTLIER -72.95 138.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.334 -0.848 . . . . 10.0 111.696 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 126.78 30.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.814 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -117.82 97.89 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.303 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -100.45 125.31 46.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.353 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -128.89 98.69 5.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.458 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.7 mp -105.5 114.55 28.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.725 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 5.4 t -119.35 117.39 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.245 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.99 121.2 37.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.555 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.84 130.57 54.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.97 96.05 3.33 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -107.07 99.08 8.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.315 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.679 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 11.2 m-20 -99.17 101.96 13.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.153 0.501 . . . . 10.0 110.797 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.41 -22.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.077 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.36 -83.7 1.73 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.372 -0.918 . . . . 10.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -161.03 124.35 3.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.559 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 30.0 p30 -95.9 155.28 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.103 0.477 . . . . 10.0 111.561 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 99.0 mttt -112.16 -88.92 0.52 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.537 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -153.1 79.68 0.19 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.968 -1.111 . . . . 10.0 113.275 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.23 118.45 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.847 -0.798 . . . . 10.0 108.847 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.846 HG12 HG23 ' M' ' 31' ' ' ILE . 0.2 OUTLIER -96.31 113.23 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.941 0.877 . . . . 10.0 112.41 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.819 ' HB ' HG22 ' M' ' 32' ' ' ILE . 74.6 mt -110.3 106.97 21.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.89 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -104.01 118.62 6.04 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.558 -0.83 . . . . 10.0 112.911 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' M' ' 34' ' ' LEU . 75.7 mt -106.17 115.55 30.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.72 -0.845 . . . . 10.0 108.72 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.49 ' O ' ' HA ' ' O' ' 35' ' ' MET . 7.2 mtm -127.18 96.26 4.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 2.2 p -130.47 128.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.256 0.55 . . . . 10.0 111.889 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.664 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -140.84 138.95 9.26 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.414 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.13 154.17 20.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.612 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 15.4 m -137.61 134.26 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.808 0.337 . . . . 10.0 111.675 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.732 ' HB ' HG12 ' M' ' 40' ' ' VAL . 54.2 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.762 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' N' ' 11' ' ' GLU . 49.3 mt-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.2 0.524 . . . . 10.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' N' ' 11' ' ' GLU . 19.1 m -91.96 -173.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -114.69 104.92 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.014 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -91.22 107.87 19.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.71 99.83 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -111.04 113.32 25.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.437 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.603 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -113.59 112.75 24.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 5.1 p -133.54 123.44 46.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.448 0.642 . . . . 10.0 112.471 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -120.8 128.25 52.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.531 -0.758 . . . . 10.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -106.47 110.85 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.0 110.95 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.54 125.9 50.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.961 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 0.8 OUTLIER -110.35 145.42 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.021 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.499 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 3.1 t -133.59 7.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.202 0.525 . . . . 10.0 109.823 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.76 -80.23 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.123 -1.036 . . . . 10.0 113.26 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.73 99.26 3.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.751 0.276 . . . . 10.0 111.07 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.911 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 47.7 t30 -88.55 107.65 19.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 10.0 111.16 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.592 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 2.4 tttm -78.36 -33.73 48.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.31 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 125.34 5.61 Favored Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.57 -0.741 . . . . 10.0 113.526 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.582 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -97.79 157.27 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.525 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -104.37 125.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.285 0.564 . . . . 10.0 110.029 178.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.82 124.21 71.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.099 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -113.26 104.71 1.56 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.788 -0.72 . . . . 10.0 111.959 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.91 85.55 2.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.848 0.356 . . . . 10.0 110.226 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.543 ' O ' ' HA ' ' P' ' 35' ' ' MET . 0.0 OUTLIER -102.24 95.58 6.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.294 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' N' ' 36' ' ' VAL . 25.6 m -126.03 166.61 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.265 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.18 -171.07 43.35 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.696 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.86 158.66 21.76 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.081 -1.056 . . . . 10.0 113.173 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 31' ' ' ILE . 2.7 m -119.37 150.84 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.706 HG13 HG22 ' N' ' 40' ' ' VAL . 2.3 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.892 0.377 . . . . 10.0 111.251 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 t60 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.9 0.381 . . . . 10.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -114.04 96.67 5.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.518 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -110.74 114.03 27.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.887 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -130.35 115.91 17.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 10.0 111.179 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.415 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.7 mp -111.14 100.5 9.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.081 -0.508 . . . . 10.0 109.723 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 t -110.22 116.33 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.325 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -121.92 142.76 49.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.765 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.83 116.47 27.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.862 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.82 77.71 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.509 . . . . 10.0 110.495 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.0 133.21 53.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.142 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 2.3 t0 -137.3 143.11 41.95 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.762 -0.459 . . . . 10.0 109.762 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 28.4 m -106.52 8.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.236 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.21 0.97 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.506 -0.854 . . . . 10.0 111.56 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -107.77 98.48 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.938 0.399 . . . . 10.0 110.191 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.911 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -75.7 72.09 2.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.524 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' O' ' 28' ' ' LYS . 13.8 mmmm -63.33 -52.14 63.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.03 0.443 . . . . 10.0 110.498 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 82.49 147.21 6.48 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.542 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.62 -161.58 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' G' ' 40' ' ' VAL . 1.7 tt -114.44 120.2 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.054 0.454 . . . . 10.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.48 126.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.83 115.05 3.6 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.161 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.21 85.31 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.793 0.33 . . . . 10.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.876 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 0.0 OUTLIER -100.49 96.45 7.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.92 106.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 10.0 111.177 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.426 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -124.12 169.95 16.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.008 -0.615 . . . . 10.0 111.576 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.15 159.42 29.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' O' ' 39' ' ' VAL . 19.4 m -126.83 133.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 10.0 110.604 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' O' ' 40' ' ' VAL . 90.4 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.316 0.579 . . . . 10.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.45 100.58 12.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.182 -0.917 . . . . 10.0 108.791 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -89.4 98.44 11.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 36.5 tt0 -118.22 117.53 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.479 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.72 111.35 14.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.039 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -111.08 108.96 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -124.46 134.36 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.451 0.643 . . . . 10.0 112.614 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.78 108.21 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.633 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.53 114.41 26.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.93 112.7 19.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.328 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 76.2 mm-40 -82.35 151.68 26.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.959 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.91 102.67 5.72 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.365 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 17.1 t -125.05 -27.15 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 10.0 110.59 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.14 -150.51 15.34 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.829 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -68.01 126.06 28.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.768 0.284 . . . . 10.0 110.266 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -66.19 157.1 32.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.396 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 2.0 mttm -165.54 -153.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.284 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.17 136.58 7.35 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.151 -1.023 . . . . 10.0 113.212 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -94.61 153.43 17.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 10.0 110.426 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 mm -100.24 86.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.677 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB ' ' B' ' 32' ' ' ILE . 9.6 pt -113.22 129.63 68.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 10.0 112.079 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.99 121.0 4.15 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.489 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' B' ' 34' ' ' LEU . 43.4 mt -102.5 110.46 22.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.633 0.254 . . . . 10.0 111.061 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -119.7 24.01 10.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.315 0.579 . . . . 10.0 109.65 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' B' ' 36' ' ' VAL . 9.7 t -69.93 126.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.262 -0.881 . . . . 10.0 110.548 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -163.38 147.85 13.86 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.276 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 139.74 9.64 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.659 HG13 HG23 ' B' ' 39' ' ' VAL . 5.4 p -136.73 126.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.529 . . . . 10.0 110.977 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.221 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 121.342 0.591 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.11 90.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.483 -0.932 . . . . 10.0 108.483 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.517 ' HA ' ' HB3' ' C' ' 13' ' ' HIS . 7.3 t60 -74.2 107.51 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.877 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.475 ' HB2' ' HD2' ' C' ' 14' ' ' HIS . 50.1 m-70 -104.68 95.12 5.68 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 5.0 tt0 -113.55 102.23 10.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.341 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 17.0 ptmt -114.97 121.23 42.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.277 0.56 . . . . 10.0 111.503 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.655 HD13 ' HG ' ' A' ' 17' ' ' LEU . 3.5 mp -114.48 108.25 16.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.077 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.457 HG13 HG23 ' A' ' 18' ' ' VAL . 5.1 t -115.83 118.93 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.697 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.33 124.46 50.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.284 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -110.47 120.18 41.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 99.96 5.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.815 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 44.6 mt-10 -101.23 86.07 2.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.861 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' C' ' 23' ' ' ASP . 1.5 m-20 -78.98 89.29 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.949 0.404 . . . . 10.0 110.606 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 26.0 t -91.54 -15.93 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.32 -60.35 0.86 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.504 -0.855 . . . . 10.0 111.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -167.52 120.44 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.59 -0.305 . . . . 10.0 110.422 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.457 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 8.6 m120 -65.28 150.0 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.68 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 4.3 tppt? -141.24 -91.96 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.16 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 169.9 99.84 0.13 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.795 -1.193 . . . . 10.0 113.017 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.46 149.47 21.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.885 HD12 HG22 ' J' ' 39' ' ' VAL . 1.0 OUTLIER -99.26 121.01 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.62 0.724 . . . . 10.0 110.426 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.727 ' HB ' HG22 ' A' ' 32' ' ' ILE . 53.5 mt -130.73 122.36 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.047 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.04 122.06 5.43 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.927 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' A' ' 34' ' ' LEU . 3.4 mm? -104.18 85.71 2.43 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.14 45.27 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.683 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.693 ' HB ' HG13 ' A' ' 36' ' ' VAL . 8.2 t -83.42 104.63 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.368 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -127.83 134.07 8.08 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.781 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.06 130.53 6.28 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.571 -0.612 . . . . 10.0 111.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.991 HG22 HD11 ' J' ' 31' ' ' ILE . 1.9 p -128.01 133.62 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.065 0.459 . . . . 10.0 111.083 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.626 HG22 ' HB ' ' C' ' 40' ' ' VAL . 93.6 t -134.69 135.48 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.137 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.886 ' HB ' HG21 ' J' ' 31' ' ' ILE . 13.6 tt -64.72 118.85 7.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.105 0.479 . . . . 10.0 111.357 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.939 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.01 0.434 . . . . 10.0 111.209 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -95.62 108.54 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . 0.517 ' HB3' ' HA ' ' B' ' 13' ' ' HIS . 21.7 t60 -80.45 94.02 6.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.585 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 51.8 m170 -89.27 100.11 12.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.027 0.441 . . . . 10.0 112.008 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -116.07 104.75 11.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.418 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -113.24 121.46 44.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.719 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.0 109.07 15.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 9.1 p -131.95 128.77 60.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.629 0.728 . . . . 10.0 112.382 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.61 126.79 47.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.992 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.41 111.33 23.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.51 107.05 14.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -106.34 121.34 44.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.42 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 23' ' ' ASP . 1.6 t0 -108.78 120.46 42.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.19 10.43 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.947 0.403 . . . . 10.0 110.076 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.529 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -135.56 -65.12 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.514 -0.85 . . . . 10.0 113.02 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 92.34 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.596 0.198 . . . . 10.0 110.645 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 63.1 t30 -62.56 145.58 54.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 79.4 tttt -125.48 -102.67 0.36 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.6 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.84 109.54 0.38 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.548 -1.311 . . . . 10.0 113.573 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.44 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.809 HD12 HG22 ' K' ' 39' ' ' VAL . 1.4 pt -108.62 119.67 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.501 0.667 . . . . 10.0 111.203 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.28 102.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.776 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.53 106.18 2.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.653 -0.785 . . . . 10.0 111.555 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 5.5 mp -96.06 80.39 3.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.082 0.468 . . . . 10.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.831 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.6 mpp? -91.13 63.12 4.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.867 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 41.3 t -95.74 126.58 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.497 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.975 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -143.67 164.16 27.46 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.172 -1.013 . . . . 10.0 112.95 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.72 147.36 17.79 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.493 -0.643 . . . . 10.0 111.493 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.951 HG21 ' HA3' ' K' ' 33' ' ' GLY . 2.2 t -136.63 127.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 10.0 110.773 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG22 ' B' ' 40' ' ' VAL . 53.6 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.047 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.675 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 35.1 mt-10 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 111.36 0.133 . . . . 10.0 111.36 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.0 p -141.01 164.0 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.471 -0.492 . . . . 10.0 111.944 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . 0.421 ' H ' HG22 ' D' ' 12' ' ' VAL . 6.3 t60 -88.79 129.7 35.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.866 0.365 . . . . 10.0 111.727 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 34.3 m170 -129.47 87.86 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.79 130.06 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 10.0 111.793 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -130.65 121.94 26.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.26 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.66 110.59 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.472 -0.785 . . . . 10.0 109.71 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.731 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.8 t -120.17 114.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.372 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -116.53 127.41 54.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.9 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.08 122.07 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.64 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.29 97.32 5.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.0 94.99 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.31 94.4 8.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 41.3 t -87.79 -28.16 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -90.82 -103.17 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.346 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -121.84 110.46 15.91 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -66.32 150.69 48.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.869 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 34.2 tttm -139.9 -51.42 0.5 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.795 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.27 125.97 3.02 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.139 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.58 165.42 11.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 1.008 HD11 HG23 ' E' ' 31' ' ' ILE . 9.4 pt -106.28 113.22 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.657 0.741 . . . . 10.0 110.948 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.484 HG12 HD12 ' E' ' 32' ' ' ILE . 23.2 mt -116.63 112.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.158 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.778 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -107.46 112.56 3.73 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.757 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -101.73 80.13 2.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.6 mpp? -97.45 81.75 3.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 10.0 110.531 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' C' ' 36' ' ' VAL . 25.4 t -108.71 116.38 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.534 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 1.093 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -134.62 124.6 3.52 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.1 -1.048 . . . . 10.0 112.931 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.08 132.13 6.7 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.428 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 1.082 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.4 m -133.4 149.98 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.765 0.316 . . . . 10.0 111.198 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.688 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.4 p -147.25 143.67 19.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.817 0.341 . . . . 10.0 111.127 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.92 127.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.73 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.351 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.743 ' HA ' HG22 ' F' ' 12' ' ' VAL . 1.9 mp0 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.654 0.74 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.425 HG12 ' H ' ' D' ' 12' ' ' VAL . 26.8 m -90.16 158.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.961 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -96.2 101.4 13.04 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.293 -1.002 . . . . 10.0 108.293 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.51 106.19 18.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.177 0.513 . . . . 10.0 111.128 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -116.11 107.16 14.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.989 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -114.99 116.57 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.341 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.36 112.67 23.43 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.9 OUTLIER -127.03 124.69 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.361 0.601 . . . . 10.0 112.374 -179.029 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -123.18 123.54 41.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.568 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -109.18 107.34 17.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.572 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 112.35 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.31 119.46 22.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.868 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.502 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 3.1 t70 -115.89 132.52 56.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 10.0 110.197 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.696 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -119.86 32.78 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.374 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.2 -74.19 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.68 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -151.91 115.86 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.475 -0.426 . . . . 10.0 110.523 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -84.39 144.66 28.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.869 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 10.4 mttm -125.89 -54.39 1.52 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.873 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.422 ' O ' ' HA3' ' F' ' 29' ' ' GLY . . . 134.09 119.32 1.96 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.026 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -93.28 161.79 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.112 0.165 . . . . 10.0 110.653 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 1.008 HG23 HD11 ' D' ' 31' ' ' ILE . 7.3 mt -106.43 86.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.484 HD12 HG12 ' D' ' 32' ' ' ILE . 5.4 mt -100.15 111.02 28.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.275 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.427 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -116.83 99.67 0.86 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 10.0 113.266 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -92.91 90.98 7.2 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.51 75.14 1.0 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.408 0.623 . . . . 10.0 110.552 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.9 m -103.52 140.56 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.871 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -144.17 157.76 27.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.145 -1.026 . . . . 10.0 112.71 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.24 131.26 4.0 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.201 -0.76 . . . . 10.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 1.029 HG21 ' HA3' ' M' ' 33' ' ' GLY . 54.3 t -130.33 121.87 52.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 10.0 111.898 -179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG23 ' D' ' 40' ' ' VAL . 86.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.76 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.968 ' HB ' HG12 ' G' ' 12' ' ' VAL . 2.8 t -113.84 108.95 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 125.1 31.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.454 0.538 . . . . 10.0 112.454 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -126.1 94.55 4.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.146 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.8 tt0 -111.65 124.98 53.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.488 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -133.49 128.29 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.197 0.523 . . . . 10.0 111.863 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 8.0 mp -115.56 114.12 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.342 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' G' ' 18' ' ' VAL . 29.9 t -117.08 113.94 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.347 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.96 124.08 47.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.621 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.57 129.9 54.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.608 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.23 86.55 2.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -98.39 100.24 11.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.448 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.823 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 9.8 m-20 -100.44 101.93 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.02 0.438 . . . . 10.0 110.881 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' G' ' 24' ' ' VAL . 7.6 m -94.15 0.54 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 10.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.48 -63.76 0.38 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.829 -0.7 . . . . 10.0 111.731 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.7 p 176.64 118.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 1.047 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 25.4 p30 -82.11 140.92 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.0 OUTLIER -105.38 -30.28 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.13 -0.941 . . . . 10.0 108.809 178.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 114.61 114.09 3.02 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.891 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.494 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -97.87 150.7 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.643 ' HB ' HD12 ' E' ' 31' ' ' ILE 0.259 12.0 tt -101.46 109.04 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.769 0.795 . . . . 10.0 112.183 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.521 HG12 HD12 ' G' ' 32' ' ' ILE . 29.6 mt -113.15 116.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.757 -1.11 . . . . 10.0 109.974 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.21 111.98 3.47 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.595 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.4 mm? -96.19 74.44 2.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.488 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.4 mpt? -88.65 69.55 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.035 0.445 . . . . 10.0 110.106 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' E' ' 36' ' ' VAL . 42.4 t -100.77 119.65 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.007 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.422 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.33 148.87 18.44 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.811 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -140.42 144.76 15.28 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.43 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 1.027 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.1 t -144.44 141.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 122.155 0.182 . . . . 10.0 111.208 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.527 HG23 HG13 ' G' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.968 HG12 ' HB ' ' F' ' 12' ' ' VAL . 14.2 m . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.456 0.646 . . . . 10.0 112.699 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 9.6 t60 -88.66 108.85 19.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.591 -1.263 . . . . 10.0 107.591 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -96.67 124.47 40.67 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.177 -0.465 . . . . 10.0 112.029 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HG3' ' F' ' 15' ' ' GLN . 2.1 tp60 -128.57 97.96 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -111.72 119.07 37.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.835 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.516 HD13 HD23 ' G' ' 34' ' ' LEU . 47.9 mt -117.76 106.08 12.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.3 m -119.95 123.44 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.422 0.629 . . . . 10.0 112.339 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' H' ' 19' ' ' PHE . 31.5 m-85 -124.93 121.22 33.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.411 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.4 109.77 21.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 10.0 111.618 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.69 115.99 27.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.841 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -117.92 134.83 54.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.194 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.823 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.0 OUTLIER -108.45 143.11 37.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.513 ' HA ' HG22 ' F' ' 24' ' ' VAL . 77.4 t -129.58 -34.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.858 0.361 . . . . 10.0 110.713 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -109.97 -67.05 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.343 -0.932 . . . . 10.0 112.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 21.2 m -153.12 112.38 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.615 0.245 . . . . 10.0 110.658 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 1.047 ' HB3' ' HA ' ' F' ' 27' ' ' ASN . 18.6 t-20 -65.35 144.17 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.605 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -121.43 -54.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.661 0.267 . . . . 10.0 110.337 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.494 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 120.95 114.58 2.37 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.056 -1.068 . . . . 10.0 112.864 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.865 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -91.37 170.3 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.521 0.201 . . . . 10.0 111.183 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.516 HG13 ' HA ' ' H' ' 31' ' ' ILE . 0.4 OUTLIER -107.03 90.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 179.09 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.619 HG12 HD12 ' H' ' 32' ' ' ILE . 7.3 mt -101.81 104.22 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.291 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.63 105.33 2.01 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.668 -0.777 . . . . 10.0 111.961 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.714 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 6.5 mp -93.7 74.28 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.921 0.391 . . . . 10.0 110.743 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.447 ' O ' ' HE3' ' H' ' 35' ' ' MET . 2.2 ptp -81.5 76.36 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.123 0.963 . . . . 10.0 109.685 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.456 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 40.9 t -94.3 111.26 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.592 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.74 123.04 5.68 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.521 -0.847 . . . . 10.0 111.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -133.61 112.77 1.12 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.514 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 1.027 HG12 ' HB ' ' F' ' 39' ' ' VAL . 27.0 m -127.29 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.313 0.578 . . . . 10.0 111.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' P' ' 31' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.173 -0.921 . . . . 10.0 110.625 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.556 0.217 . . . . 10.0 110.451 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.53 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -66.21 132.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.986 179.086 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 13.4 t60 -70.84 133.19 46.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -116.16 101.4 8.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.112 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.45 129.68 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.721 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -139.05 115.52 10.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.77 117.25 30.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 t -116.71 123.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.466 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' G' ' 19' ' ' PHE . 23.5 m-85 -127.25 137.92 52.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.843 0.354 . . . . 10.0 110.495 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -114.57 132.72 56.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.754 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -141.64 87.12 2.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.43 136.36 46.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' G' ' 23' ' ' ASP . 5.1 t70 -100.54 151.64 21.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.815 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -126.02 -34.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 10.0 109.947 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -132.53 -51.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.006 -0.616 . . . . 10.0 113.028 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -143.07 110.79 5.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.504 -0.409 . . . . 10.0 110.421 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.564 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -65.9 151.12 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.86 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.672 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 35.4 tttp -136.53 -178.59 5.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.603 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.865 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -101.26 92.18 1.01 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.296 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.5 139.22 40.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.589 HD11 HG23 ' P' ' 39' ' ' VAL . 9.6 tt -84.21 112.96 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.619 HD12 HG12 ' G' ' 32' ' ' ILE . 8.8 mt -126.56 107.01 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.878 0.371 . . . . 10.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.72 106.54 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 111.405 -0.678 . . . . 10.0 111.405 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.714 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.2 mm? -96.77 79.1 2.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.278 . . . . 10.0 111.152 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.447 ' HE3' ' O ' ' G' ' 35' ' ' MET . 7.2 tpt -84.95 91.81 8.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.22 0.533 . . . . 10.0 110.067 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 51.4 t -98.6 122.87 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.256 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -118.98 105.65 1.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.817 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.735 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.402 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' J' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.436 0.636 . . . . 10.0 110.236 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.93 162.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.929 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -90.54 95.27 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.901 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -87.2 86.69 7.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.181 0.515 . . . . 10.0 110.613 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -105.34 109.42 21.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.563 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -114.84 115.72 27.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.26 116.96 28.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.62 135.29 30.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -116.55 114.9 24.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.164 -0.926 . . . . 10.0 109.632 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.38 105.35 17.41 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 115.72 30.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.852 0.358 . . . . 10.0 111.131 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.93 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 72.1 mm-40 -91.35 137.56 32.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.039 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' J' ' 27' ' ' ASN . 0.0 OUTLIER -116.0 113.27 23.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.713 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.58 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 6.2 t -133.43 -16.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 10.0 110.504 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.79 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.271 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -57.79 129.13 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.749 0.275 . . . . 10.0 110.588 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.41 147.42 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.519 0.199 . . . . 10.0 111.395 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.708 ' HD3' ' HG2' ' J' ' 28' ' ' LYS . 26.8 mtpt -144.72 -105.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.528 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.41 125.23 0.84 Allowed Glycine 0 CA--C 1.517 0.166 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.2 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -89.96 137.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 111.841 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 1.6 mt -86.81 93.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -111.34 126.69 68.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.381 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.2 122.53 5.64 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -109.9 100.16 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.779 0.323 . . . . 10.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -110.26 16.06 21.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.158 0.504 . . . . 10.0 110.291 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.558 HG12 ' HB ' ' J' ' 36' ' ' VAL . 6.4 m -64.36 146.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.334 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 167.95 -169.24 41.24 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.627 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.94 -179.98 47.63 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.478 -0.868 . . . . 10.0 112.251 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.653 HG13 HG23 ' J' ' 39' ' ' VAL . 7.6 p -157.37 132.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.065 0.459 . . . . 10.0 110.544 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' J' ' 40' ' ' VAL . 14.0 t -130.78 158.31 43.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 pt -57.9 142.22 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.444 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 51.4 mt-10 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.965 0.412 . . . . 10.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.536 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.4 t -96.02 108.72 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -83.08 115.04 21.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.201 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.65 92.3 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -108.13 112.01 24.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.534 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -115.14 109.08 17.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.397 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.412 ' HG ' HD12 ' K' ' 17' ' ' LEU . 4.8 mp -108.91 96.15 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' K' ' 18' ' ' VAL . 13.2 t -113.3 117.24 54.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 10.0 111.062 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.95 126.63 55.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -111.33 122.04 46.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.87 101.15 5.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.93 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 1.2 pt-20 -106.59 87.36 2.51 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.709 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -77.13 88.72 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.065 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.58 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 16.9 t -86.95 -14.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.621 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.66 -65.79 0.77 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.306 -0.949 . . . . 10.0 111.889 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 60.4 m -157.78 118.26 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 7.5 m120 -68.71 146.45 52.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.998 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 15.7 mttp -139.95 -107.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.85 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -157.12 90.24 0.11 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.764 -1.208 . . . . 10.0 113.568 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.6 127.98 33.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.991 HD11 HG22 ' B' ' 39' ' ' VAL . 1.6 tp -92.84 104.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.629 0.728 . . . . 10.0 111.3 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.16 131.75 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.56 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.78 115.25 2.3 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.957 -0.64 . . . . 10.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' K' ' 34' ' ' LEU . 91.4 mt -108.67 99.86 9.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.691 0.282 . . . . 10.0 110.801 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.9 mmt -109.09 35.8 3.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.351 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 15.0 t -75.24 114.22 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.794 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.05 137.22 7.0 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.766 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.66 136.82 9.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 10.0 111.821 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.885 HG22 HD12 ' B' ' 31' ' ' ILE . 3.2 p -124.73 127.12 72.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.162 0.506 . . . . 10.0 110.777 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG13 ' I' ' 40' ' ' VAL . 69.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.675 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' L' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.855 0.359 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . 0.536 HG12 ' HB ' ' J' ' 12' ' ' VAL . 2.7 m -106.39 109.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.305 0.574 . . . . 10.0 112.383 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -77.35 103.04 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . 0.934 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 31.4 m170 -94.57 107.76 19.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.054 0.454 . . . . 10.0 111.41 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -121.47 101.24 7.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.372 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -110.09 124.45 51.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.325 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.412 HD12 ' HG ' ' J' ' 17' ' ' LEU . 13.4 mt -125.19 105.52 9.2 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.4 m -124.96 128.13 72.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.386 0.612 . . . . 10.0 112.251 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 60.0 m-85 -125.01 121.75 35.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.619 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.62 112.02 24.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.233 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 110.22 18.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 40.0 mt-10 -109.54 117.51 34.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.797 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.3 t70 -103.39 117.56 34.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.56 -5.76 11.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 121.323 0.582 . . . . 10.0 109.747 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.98 -76.93 0.53 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.754 -0.736 . . . . 10.0 113.013 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -158.33 95.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.262 -0.273 . . . . 10.0 110.262 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.9 t30 -63.5 147.65 50.77 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.144 0.497 . . . . 10.0 112.023 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.998 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 41.9 tttm -127.19 -64.63 0.99 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.738 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.86 110.03 0.38 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.525 -1.321 . . . . 10.0 113.791 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 153.97 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.763 ' HB ' HG23 ' J' ' 31' ' ' ILE . 9.4 tt -108.29 114.48 46.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.525 0.679 . . . . 10.0 112.7 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.475 HG12 HD12 ' L' ' 32' ' ' ILE . 39.0 mt -116.14 112.2 38.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 10.0 109.114 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -113.96 113.36 3.05 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.387 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.704 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.79 89.23 4.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.107 0.48 . . . . 10.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.975 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.1 mpp? -94.97 57.47 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.515 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 25.8 t -93.54 126.77 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.093 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . 0.831 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -149.55 172.69 29.5 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.161 -1.019 . . . . 10.0 112.42 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.54 151.05 19.94 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.819 -0.705 . . . . 10.0 111.741 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.809 HG22 HD12 ' C' ' 31' ' ' ILE . 7.6 p -135.35 126.9 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 110.385 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' L' ' 40' ' ' VAL . 17.5 t -124.37 134.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.698 ' HA ' HG21 ' C' ' 31' ' ' ILE . 19.0 tt -64.88 139.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 10.0 110.973 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.746 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.71 ' H ' HG12 ' M' ' 12' ' ' VAL . 2.0 p -134.15 176.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . 0.707 ' H ' HG22 ' L' ' 12' ' ' VAL . 28.9 t60 -103.81 131.76 50.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.356 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . 0.934 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 18.6 m80 -124.37 97.58 5.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -114.08 120.27 40.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.107 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -127.94 118.85 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.555 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' K' ' 17' ' ' LEU . 8.4 mp -114.4 114.95 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.557 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.2 t -124.08 114.38 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.949 0.404 . . . . 10.0 110.369 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.438 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 17.9 m-85 -118.21 126.24 51.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.994 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.2 126.43 52.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.49 94.08 3.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -98.79 90.32 4.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.582 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.672 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.8 OUTLIER -89.37 84.5 6.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.308 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 48.1 t -75.93 -31.31 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.197 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.14 -138.66 9.68 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.272 -0.966 . . . . 10.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 121.98 27.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.672 ' ND2' ' HB3' ' L' ' 23' ' ' ASP . 0.6 OUTLIER -81.19 151.83 28.0 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.634 ' HA ' ' HD3' ' K' ' 28' ' ' LYS . 14.4 tttm -138.52 -52.48 0.59 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.722 0.296 . . . . 10.0 110.381 177.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.52 117.87 2.11 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.087 -1.054 . . . . 10.0 114.31 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.57 162.57 12.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 1.082 HD11 ' HB ' ' D' ' 39' ' ' VAL . 1.5 tt -112.26 121.65 65.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.478 0.656 . . . . 10.0 112.716 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.525 HG12 HD11 ' M' ' 32' ' ' ILE . 22.4 mt -113.99 116.14 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.747 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.86 108.4 2.73 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.118 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.704 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.3 mm? -98.75 85.15 3.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 1.093 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.1 mpp? -100.98 85.54 2.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.376 0.608 . . . . 10.0 110.649 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.582 ' HB ' HG13 ' K' ' 36' ' ' VAL . 12.3 t -115.41 127.82 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.022 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -148.59 128.2 2.75 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.036 -1.078 . . . . 10.0 113.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.09 140.0 11.48 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 10.0 111.6 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 1.03 HG13 HG12 ' M' ' 39' ' ' VAL . 0.9 OUTLIER -131.78 139.93 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 10.0 112.007 -179.422 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' K' ' 40' ' ' VAL . 55.0 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.304 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.394 0.616 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . 0.71 HG12 ' H ' ' L' ' 12' ' ' VAL . 22.0 m -119.88 150.65 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.889 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -84.78 104.86 15.11 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.82 107.86 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.658 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -115.74 103.14 10.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -109.35 117.26 33.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -116.31 109.84 17.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.217 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.6 m -124.86 124.23 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 16.7 m-85 -122.19 125.49 46.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.589 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.99 114.52 27.9 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.82 116.21 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -126.07 116.4 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.351 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -114.84 125.82 54.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.653 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -114.46 15.85 8.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.427 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -137.97 -70.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.262 -0.97 . . . . 10.0 113.399 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.0 m -157.35 98.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.59 -0.359 . . . . 10.0 110.853 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -72.99 133.66 44.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 5.5 tttp -107.39 -76.95 0.6 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.347 . . . . 10.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.65 85.52 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.482 -1.342 . . . . 10.0 114.027 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -83.77 137.23 33.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.415 -0.957 . . . . 10.0 108.415 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.944 HD11 HG23 ' D' ' 39' ' ' VAL . 14.1 tt -101.9 114.48 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.677 0.751 . . . . 10.0 112.727 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.879 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.9 pt -110.86 121.89 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.906 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 1.029 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -116.12 117.25 3.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.943 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.722 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.5 mp -104.1 91.05 3.78 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.063 0.458 . . . . 10.0 109.79 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 7.4 mtm -101.92 93.2 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.513 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 1.3 p -127.16 130.07 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.21 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . 0.442 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -150.07 171.72 30.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.615 -0.802 . . . . 10.0 112.168 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.06 145.33 7.81 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.626 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 1.03 HG12 HG13 ' L' ' 39' ' ' VAL . 18.3 m -131.6 138.63 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.538 0.209 . . . . 10.0 110.615 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.974 HG12 ' HB ' ' N' ' 40' ' ' VAL . 30.5 m -146.78 174.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.458 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' M' ' 41' ' ' ILE . 1.0 OUTLIER -143.39 137.39 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.014 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.49 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.17 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' O' ' 11' ' ' GLU . 12.3 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.158 0.504 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.421 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.6 OUTLIER -71.1 139.96 19.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.408 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 132.21 44.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -122.31 95.79 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.379 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -98.22 128.95 44.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' N' ' 16' ' ' LYS . 12.7 ttmt -129.86 94.5 3.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.841 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.2 mp -100.34 112.56 24.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.562 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 23.2 t -119.77 113.87 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.441 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 56.8 m-85 -119.96 117.97 29.47 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.842 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.17 130.35 55.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.988 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.03 98.79 3.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.05 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -105.75 105.41 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.568 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.604 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 15.3 m-20 -98.45 103.61 15.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.425 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 62.5 t -82.99 -23.53 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.217 0.532 . . . . 10.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -101.3 -69.71 0.87 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.432 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -178.2 130.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.604 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.1 p30 -95.43 149.35 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 10.0 111.003 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.623 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 18.6 tttp -106.25 -83.96 0.52 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.537 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -162.57 77.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.144 -1.027 . . . . 10.0 113.037 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.78 135.35 35.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.855 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -106.19 113.96 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.899 0.857 . . . . 10.0 112.362 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.879 ' HB ' HG22 ' M' ' 32' ' ' ILE . 69.9 mt -106.11 103.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.183 -1.044 . . . . 10.0 108.183 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.712 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -99.95 117.0 5.74 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.384 -0.913 . . . . 10.0 112.801 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.722 HD12 ' HG ' ' M' ' 34' ' ' LEU . 81.6 mt -111.78 107.73 16.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' O' ' 35' ' ' MET . 4.8 mtm -122.88 98.59 5.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.8 p -128.85 127.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.438 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.488 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -144.63 130.11 3.81 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.705 -0.759 . . . . 10.0 111.902 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.38 153.79 18.24 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.079 -0.808 . . . . 10.0 111.079 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.75 HG12 HG22 ' M' ' 39' ' ' VAL . 10.6 m -137.23 127.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.108 0.454 . . . . 10.0 111.629 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.974 ' HB ' HG12 ' M' ' 40' ' ' VAL . 43.0 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.965 0.412 . . . . 10.0 111.003 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . 0.599 ' O ' ' HA ' ' N' ' 11' ' ' GLU . 34.5 mt-10 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.159 0.504 . . . . 10.0 110.261 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -81.77 -179.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.63 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -120.91 104.12 9.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -92.35 110.63 22.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.879 0.371 . . . . 10.0 111.136 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.21 102.65 11.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.663 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' O' ' 16' ' ' LYS . 1.3 mtpp -102.45 98.65 8.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.001 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.508 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.4 mm? -103.53 110.88 23.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.2 p -136.32 124.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.577 0.703 . . . . 10.0 112.657 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.71 124.27 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.21 -0.905 . . . . 10.0 109.736 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.92 107.05 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.987 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.11 128.38 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.887 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.46 129.0 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 0.6 OUTLIER -116.6 144.43 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.068 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.531 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.6 t -135.42 11.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.26 0.552 . . . . 10.0 109.547 178.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.18 -74.62 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.179 -1.01 . . . . 10.0 113.278 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -146.76 101.26 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.95 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 41.1 t30 -88.15 96.91 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 5.0 tmtt? -67.06 -49.64 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.94 122.5 3.33 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.097 -1.049 . . . . 10.0 113.705 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.469 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -96.85 166.29 11.7 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.519 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -109.99 117.52 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.488 0.661 . . . . 10.0 109.546 178.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.701 HD11 HG12 ' N' ' 32' ' ' ILE . 4.9 pt -119.57 113.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.469 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -106.09 109.31 3.13 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' P' ' 34' ' ' LEU . 6.5 mp -102.0 102.48 13.0 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.667 ' HE3' ' HG3' ' P' ' 35' ' ' MET . 0.0 OUTLIER -119.98 102.43 8.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.187 0.518 . . . . 10.0 110.82 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.736 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.5 m -126.27 146.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.408 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.67 179.65 40.43 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.015 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.39 165.82 33.67 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.995 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.84 HG22 ' HB ' ' P' ' 39' ' ' VAL . 4.1 m -121.69 149.26 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.75 ' HB ' HG22 ' N' ' 40' ' ' VAL . 13.8 t . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 120.787 0.327 . . . . 10.0 111.742 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.5 t60 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.701 0.286 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -118.74 106.6 12.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 10.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.76 107.89 18.86 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -111.59 117.09 32.0 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.72 96.22 5.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.454 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -110.93 118.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.419 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -121.06 145.68 47.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.1 123.12 41.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.958 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.35 70.78 1.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.246 0.546 . . . . 10.0 109.754 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -101.82 134.37 45.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.601 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' P' ' 27' ' ' ASN . 4.0 t0 -147.15 136.64 22.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.899 0.38 . . . . 10.0 110.427 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 m -103.67 -0.66 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.161 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.71 -115.09 2.62 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.249 -0.977 . . . . 10.0 111.959 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -101.62 97.12 7.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.95 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -66.34 101.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.82 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -78.48 -79.63 0.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.25 0.548 . . . . 10.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 104.35 120.42 4.76 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 115.472 -0.785 . . . . 10.0 112.778 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' G' ' 40' ' ' VAL . 0.5 OUTLIER -122.54 121.19 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.1 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.66 120.56 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.226 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.18 116.5 5.28 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.454 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' O' ' 34' ' ' LEU . 2.1 mm? -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.838 0.352 . . . . 10.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HE3' ' O' ' 35' ' ' MET . 2.8 mpt? -99.23 103.24 15.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.5 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.736 ' HB ' HG12 ' O' ' 36' ' ' VAL . 28.3 t -127.97 112.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.595 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.9 137.39 13.94 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.843 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.47 105.75 0.53 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.156 -0.545 . . . . 10.0 111.875 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.84 ' HB ' HG22 ' O' ' 39' ' ' VAL . 32.7 m -111.39 154.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.662 0.245 . . . . 10.0 111.662 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.601 179.502 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB3' HG22 ' B' ' 12' ' ' VAL . 1.4 mm-40 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.74 155.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.687 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -85.92 96.81 9.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 33.3 m170 -91.02 90.14 7.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.325 0.583 . . . . 10.0 110.565 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -106.27 121.42 44.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.373 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.15 127.02 47.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.311 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.77 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -123.79 117.01 23.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.92 136.07 57.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -121.11 104.67 9.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.054 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.65 103.34 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.96 121.82 44.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.727 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 74.5 mm-40 -88.03 148.61 24.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.437 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -121.29 103.96 9.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 12.7 t -135.36 -24.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.092 0.472 . . . . 10.0 110.583 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -113.49 -155.65 11.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.847 -0.692 . . . . 10.0 112.227 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 5.0 p -73.53 120.7 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.658 -0.319 . . . . 10.0 110.69 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -62.26 153.65 30.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.557 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 12.9 tptm -150.27 -92.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.478 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 157.92 126.34 0.88 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.638 -0.792 . . . . 10.0 112.78 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.51 163.94 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 10.0 110.872 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 mm -112.34 89.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB ' ' B' ' 32' ' ' ILE . 34.6 pt -110.99 135.08 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.233 0.54 . . . . 10.0 112.421 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.12 119.07 3.62 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 34' ' ' LEU . 27.4 mt -104.79 100.87 10.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -114.87 23.47 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.563 HG13 ' HB ' ' B' ' 36' ' ' VAL . 4.6 t -68.24 114.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.51 155.93 26.76 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.834 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -150.47 147.07 16.79 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.646 HG13 HG23 ' B' ' 39' ' ' VAL . 3.6 p -151.69 124.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.969 0.414 . . . . 10.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.493 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.164 0.506 . . . . 10.0 110.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.745 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -94.55 97.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 179.374 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -72.93 110.88 7.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.707 0.289 . . . . 10.0 110.519 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 22.9 m170 -111.58 89.5 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 10.0 110.125 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -110.71 111.09 22.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.704 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -121.64 116.96 25.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.318 0.58 . . . . 10.0 111.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.77 HD13 ' HG ' ' A' ' 17' ' ' LEU . 2.1 mp -109.07 110.73 22.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.054 -0.975 . . . . 10.0 109.052 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 t -116.98 120.92 66.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.763 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -116.38 125.32 51.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.451 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.57 125.39 53.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.78 99.77 4.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.727 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 22.0 mt-10 -95.99 85.37 4.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.625 -0.261 . . . . 10.0 111.586 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -78.23 79.91 4.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.066 0.46 . . . . 10.0 110.075 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.689 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 21.9 t -87.01 -15.0 9.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.49 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.05 -69.46 0.86 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.291 -0.957 . . . . 10.0 112.178 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 46.9 m -157.09 114.64 3.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.481 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 4.4 m120 -61.75 152.76 30.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.318 0.58 . . . . 10.0 111.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 7.3 tttp -148.71 -113.82 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.426 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.48 ' H ' ' HB3' ' B' ' 28' ' ' LYS . . . -170.65 107.23 0.26 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.493 -1.337 . . . . 10.0 113.578 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 151.79 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.935 HD12 HG22 ' J' ' 39' ' ' VAL . 0.9 OUTLIER -97.07 125.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.464 0.65 . . . . 10.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 32' ' ' ILE . 55.4 mt -131.39 115.46 28.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.738 -0.665 . . . . 10.0 109.689 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -112.28 115.24 3.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.353 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.484 HD13 HD13 ' C' ' 34' ' ' LEU . 3.3 mm? -97.74 90.27 4.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.84 37.2 2.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 10.0 110.881 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 18.3 t -76.2 104.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.93 130.45 6.92 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.645 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -126.91 130.42 6.91 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.374 -0.691 . . . . 10.0 111.374 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 1.007 HG22 HD11 ' J' ' 31' ' ' ILE . 2.6 p -127.04 136.35 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.413 . . . . 10.0 111.275 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.648 HG22 ' HB ' ' C' ' 40' ' ' VAL . 72.6 t -135.11 139.8 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.985 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 1.005 HG12 HG21 ' J' ' 31' ' ' ILE . 11.0 mt -58.01 129.72 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.103 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.605 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.521 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.118 0.485 . . . . 10.0 111.194 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.745 HG12 ' HB ' ' B' ' 12' ' ' VAL . 5.7 m -104.38 125.61 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -86.23 89.56 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.409 ' HD2' ' HB2' ' B' ' 14' ' ' HIS . 7.6 m170 -80.23 101.47 8.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.335 0.588 . . . . 10.0 112.216 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -115.43 93.54 4.33 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 88.8 tttt -104.83 119.65 39.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 10.0 111.815 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -120.41 112.46 19.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.41 HG13 HG13 ' D' ' 18' ' ' VAL . 8.4 p -134.23 130.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.503 0.668 . . . . 10.0 112.418 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -123.45 127.53 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.872 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.18 109.35 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.897 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.56 109.72 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -110.65 116.26 31.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.911 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.9 OUTLIER -102.21 120.62 40.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.287 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.28 7.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.46 0.648 . . . . 10.0 109.406 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -132.53 -68.88 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.566 -0.826 . . . . 10.0 113.09 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -163.14 94.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 58.1 t30 -63.29 142.31 58.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.906 0.384 . . . . 10.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -123.27 -82.23 0.65 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.586 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.9 106.73 0.19 Allowed Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.934 -1.127 . . . . 10.0 113.693 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -93.77 172.69 8.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -112.93 119.19 59.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.567 0.698 . . . . 10.0 111.531 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.65 100.1 8.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.354 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.67 103.22 2.2 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.251 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' D' ' 34' ' ' LEU . 5.5 mp -93.96 81.43 4.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.187 0.518 . . . . 10.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.66 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 5.0 mpp? -93.14 50.78 1.57 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.883 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.8 t -86.98 123.36 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.774 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.833 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -137.59 168.51 24.43 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.275 -0.964 . . . . 10.0 112.841 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.03 147.77 17.94 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.881 HG21 ' HA3' ' K' ' 33' ' ' GLY . 0.9 OUTLIER -139.14 129.79 33.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.74 0.305 . . . . 10.0 111.154 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.648 ' HB ' HG22 ' B' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.704 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.914 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 75.3 mt-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' C' ' 11' ' ' GLU . 4.1 p -169.84 154.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.469 0.176 . . . . 10.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.42 132.52 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.015 0.436 . . . . 10.0 111.645 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -131.14 84.75 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 18.8 pt20 -108.82 140.48 42.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 10.0 111.642 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 30.3 ttpt -140.6 122.23 15.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.039 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.25 112.49 23.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.507 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.5 t -119.75 115.68 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.307 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -115.88 125.44 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -106.61 125.47 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.616 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.3 99.94 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.888 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -104.2 96.85 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.602 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.78 92.03 8.21 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.462 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 92.1 t -86.85 -24.96 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 10.0 111.784 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.487 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -93.06 -81.47 1.49 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.339 -0.934 . . . . 10.0 113.427 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -151.15 113.64 4.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.7 OUTLIER -63.26 155.86 27.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.688 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 49.9 tttm -141.11 -107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.578 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . -165.46 99.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.178 -1.01 . . . . 10.0 112.86 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -100.5 153.28 19.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.825 ' HA ' HG12 ' C' ' 31' ' ' ILE 0.259 0.0 OUTLIER -97.94 127.46 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.404 0.621 . . . . 10.0 112.372 178.989 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mt -125.38 96.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 111.3 4.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.604 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.564 HD23 ' HG ' ' C' ' 34' ' ' LEU . 1.6 mm? -101.31 78.46 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.948 0.404 . . . . 10.0 109.959 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.847 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.8 mpp? -94.72 73.81 3.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.124 0.487 . . . . 10.0 110.771 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' C' ' 36' ' ' VAL . 31.7 t -102.6 122.59 55.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.642 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.968 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.11 125.89 2.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.941 -1.123 . . . . 10.0 112.911 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 133.58 7.48 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.66 -0.781 . . . . 10.0 111.648 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 1.049 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.9 m -130.23 144.6 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 10.0 112.096 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.861 HG22 ' HB ' ' E' ' 40' ' ' VAL . 11.6 t -140.94 142.27 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.116 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 tt -82.91 128.99 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.914 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.1 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.742 0.782 . . . . 10.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.499 HG12 HG12 ' D' ' 12' ' ' VAL . 18.8 m -86.53 143.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -90.91 92.78 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.47 102.68 15.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.829 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' F' ' 15' ' ' GLN . 3.9 tt0 -121.29 110.89 16.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.17 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -123.27 131.2 53.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.148 0.499 . . . . 10.0 111.305 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.627 HD22 HD23 ' E' ' 34' ' ' LEU . 3.0 mp -123.23 116.0 22.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.45 -0.796 . . . . 10.0 109.174 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -122.63 125.46 72.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.325 0.583 . . . . 10.0 111.928 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -120.65 122.14 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.668 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -106.59 104.06 13.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.096 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 108.52 19.51 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -115.52 129.47 56.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.811 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.52 142.51 50.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.286 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.8 t -138.18 19.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.19 -62.22 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.286 -0.959 . . . . 10.0 113.6 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.95 121.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.798 0.299 . . . . 10.0 110.842 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.64 164.23 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.784 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' F' ' 28' ' ' LYS . 15.0 ttmm -142.82 -102.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.978 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -162.43 100.02 0.18 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.015 -1.088 . . . . 10.0 113.624 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -83.81 154.4 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -114.87 86.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.092 0.472 . . . . 10.0 109.838 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.68 120.66 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.133 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.609 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -125.35 105.43 0.83 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.303 -0.951 . . . . 10.0 113.428 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.627 HD23 HD22 ' E' ' 17' ' ' LEU . 7.9 mp -93.79 72.19 4.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ptp -90.99 69.22 6.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 10.0 110.828 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.7 m -102.74 138.85 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.641 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.939 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -146.96 147.52 18.42 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.088 -1.053 . . . . 10.0 112.9 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.56 138.26 9.81 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 1.045 HG21 ' HA3' ' M' ' 33' ' ' GLY . 43.9 t -132.55 122.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.937 0.398 . . . . 10.0 112.017 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.861 ' HB ' HG22 ' D' ' 40' ' ' VAL . 76.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.895 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.631 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.188 0.518 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.839 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.7 t -106.92 100.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.87 125.93 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.965 0.357 . . . . 10.0 111.965 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -127.0 81.17 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.216 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 9.8 tt0 -103.68 118.24 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.372 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -134.19 130.57 37.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.294 0.569 . . . . 10.0 111.804 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.13 117.0 28.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.579 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.0 t -117.62 118.24 57.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.127 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -120.6 129.34 53.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.048 0.451 . . . . 10.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -109.16 126.05 52.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.96 85.36 2.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -104.65 102.07 11.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.866 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.591 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 31.2 m-20 -112.85 115.03 27.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.318 0.58 . . . . 10.0 110.137 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 29.0 m -106.34 31.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.661 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.99 -89.32 0.15 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.074 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -134.51 92.97 2.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.3 m120 -63.45 134.64 56.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.913 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.583 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 2.8 tmtt? -116.97 -53.6 2.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 117.5 120.69 3.1 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.766 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -89.71 159.86 16.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.639 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 17.8 tt -103.98 112.79 38.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.642 0.734 . . . . 10.0 110.543 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.634 HG12 HD12 ' G' ' 32' ' ' ILE . 15.4 mt -114.68 112.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.109 -0.951 . . . . 10.0 110.521 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 103.43 2.21 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.7 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.0 mm? -90.62 76.85 6.47 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.715 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 0.9 OUTLIER -89.62 68.09 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 10.0 109.895 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG12 ' E' ' 36' ' ' VAL . 26.3 t -98.94 118.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.506 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.8 149.29 18.73 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.369 -0.919 . . . . 10.0 113.187 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -139.78 143.41 13.74 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.4 -0.68 . . . . 10.0 111.4 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.861 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.4 t -144.97 143.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.286 . . . . 10.0 111.681 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.419 ' HB ' HG13 ' G' ' 40' ' ' VAL . 8.5 p -155.97 147.34 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 10.0 110.905 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.671 HG23 HG22 ' N' ' 31' ' ' ILE . 0.5 OUTLIER -82.83 126.61 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.182 179.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.949 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.72 ' HA ' HG11 ' H' ' 12' ' ' VAL . 4.4 mt-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.391 0.615 . . . . 10.0 110.727 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.839 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.3 m -109.42 141.2 25.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.773 . . . . 10.0 112.806 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -96.38 105.01 17.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.11 114.63 23.89 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.061 0.458 . . . . 10.0 111.745 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.532 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 1.4 tp60 -126.43 86.07 2.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' G' ' 16' ' ' LYS . 1.7 tmmm? -109.71 114.17 27.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.919 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 32.3 mt -116.05 115.71 26.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.6 m -128.71 125.73 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.476 0.655 . . . . 10.0 112.489 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -126.35 126.98 44.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.416 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.43 120.21 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.394 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.76 111.85 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -121.17 123.61 42.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.45 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.48 126.66 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 10.0 110.286 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.0 t -114.81 18.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.249 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.82 -72.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.345 -0.931 . . . . 10.0 113.412 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.46 105.78 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.712 -0.287 . . . . 10.0 110.717 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.79 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 23.3 t-20 -63.49 146.64 53.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.524 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -126.36 -42.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.858 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 105.19 114.47 3.96 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.103 -1.046 . . . . 10.0 112.571 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.744 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -87.62 168.41 13.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.341 . . . . 10.0 111.296 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.61 88.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.301 -0.999 . . . . 10.0 108.301 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.634 HD12 HG12 ' F' ' 32' ' ' ILE . 8.3 mt -99.29 104.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 10.0 111.075 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.433 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -111.25 115.98 4.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.57 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.11 76.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.881 0.372 . . . . 10.0 110.735 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.588 ' HG2' ' HA ' ' H' ' 35' ' ' MET . 0.1 OUTLIER -83.38 80.04 9.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.917 0.865 . . . . 10.0 109.834 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.483 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 39.8 t -97.13 108.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.92 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.37 127.58 7.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.268 -0.968 . . . . 10.0 111.657 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 0.506 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -141.81 116.2 1.06 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.126 -1.035 . . . . 10.0 112.847 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 1.02 ' HB ' HD11 ' O' ' 31' ' ' ILE . 33.9 m -122.89 152.76 27.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 10.0 111.625 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 2.6 p . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' H' ' 12' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' G' ' 11' ' ' GLU . 2.9 m -66.46 137.41 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.689 0.281 . . . . 10.0 110.998 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -57.32 127.97 34.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.604 0.964 . . . . 10.0 113.604 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -125.75 95.01 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.994 -1.003 . . . . 10.0 109.324 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -105.2 125.15 50.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.725 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -134.68 119.16 17.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.84 109.82 15.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.892 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.19 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.717 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -132.56 133.92 44.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 10.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.12 130.21 56.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.108 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 90.74 2.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -109.7 142.19 41.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.443 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.39 130.35 20.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.719 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.59 13.78 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.984 0.421 . . . . 10.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.62 -61.94 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.163 -1.018 . . . . 10.0 112.672 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -155.14 102.27 2.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.79 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 28.3 t-20 -51.16 140.05 17.13 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.575 0.547 . . . . 10.0 110.024 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 22.5 tttp -122.66 167.33 13.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.912 0.387 . . . . 10.0 111.029 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.744 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -87.6 75.88 2.07 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 111.285 -0.726 . . . . 10.0 111.285 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 138.25 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 10.0 110.718 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -91.22 114.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.187 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.45 114.39 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.581 ' HA3' HG11 ' P' ' 39' ' ' VAL . . . -122.36 112.47 2.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.908 -0.663 . . . . 10.0 111.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -104.18 93.18 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.693 0.282 . . . . 10.0 111.466 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.588 ' HA ' ' HG2' ' G' ' 35' ' ' MET . 8.6 tpt -88.98 90.4 8.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.126 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 61.5 t -94.15 124.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.274 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -125.35 107.06 0.94 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.198 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.68 127.09 7.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.04 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.32 130.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 9.6 p -155.55 150.74 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.598 0.237 . . . . 10.0 110.669 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 pt -80.47 145.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.754 0.311 . . . . 10.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' G' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.469 -0.777 . . . . 10.0 110.491 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' J' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.044 0.45 . . . . 10.0 110.943 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -118.32 149.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -80.56 92.2 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.608 ' HB2' ' HD2' ' J' ' 14' ' ' HIS . 34.5 m80 -88.96 91.08 8.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.067 0.46 . . . . 10.0 110.385 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -101.85 115.65 30.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.248 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -113.95 122.06 45.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.545 HD21 HD22 ' I' ' 34' ' ' LEU . 39.6 tp -129.14 123.64 32.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.61 135.64 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 10.0 112.381 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -113.47 110.38 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.423 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -92.89 101.05 13.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.678 0.275 . . . . 10.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.65 115.97 31.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.853 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 12.6 mm-40 -90.22 136.85 32.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.212 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.598 ' HA ' HD21 ' J' ' 27' ' ' ASN . 3.8 t0 -112.36 109.33 18.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.078 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 12.6 t -131.49 -16.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.141 0.496 . . . . 10.0 110.327 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -116.5 -138.99 6.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.034 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -91.44 114.81 27.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.91 0.355 . . . . 10.0 110.391 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -62.36 153.53 30.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.791 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 24.0 mtpp -148.68 -85.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.798 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 154.58 124.82 0.94 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.472 -0.87 . . . . 10.0 112.463 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -81.68 166.9 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 10.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.605 HD13 ' H ' ' B' ' 42' ' ' ALA . 1.2 mt -117.51 92.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.585 HG22 ' HB ' ' J' ' 32' ' ' ILE . 28.1 pt -110.27 130.32 63.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.34 106.32 1.67 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.706 -0.958 . . . . 10.0 110.706 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.545 HD22 HD21 ' I' ' 17' ' ' LEU . 22.0 mt -95.78 99.49 11.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 10.0 111.627 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.05 18.46 17.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.173 0.511 . . . . 10.0 110.236 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.728 HG12 ' HB ' ' J' ' 36' ' ' VAL . 3.0 m -65.62 128.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.551 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -168.78 -161.67 19.41 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.667 -0.778 . . . . 10.0 112.063 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.35 164.36 23.91 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.384 -0.686 . . . . 10.0 111.384 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.697 HG13 HG23 ' J' ' 39' ' ' VAL . 7.3 p -149.56 133.75 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 10.0 111.154 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' J' ' 40' ' ' VAL . 2.8 t -130.85 166.09 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 pt -61.62 120.57 7.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 10.0 110.708 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.059 -179.592 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.563 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 43.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.855 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.5 t -105.61 94.76 3.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -69.59 113.65 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.917 0.389 . . . . 10.0 111.325 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.608 ' HD2' ' HB2' ' I' ' 14' ' ' HIS . 35.7 m170 -115.63 91.97 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.305 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -106.45 119.5 39.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.375 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -118.42 107.42 13.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -107.21 98.98 8.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.801 ' HB ' HG12 ' K' ' 18' ' ' VAL . 15.7 t -113.17 117.88 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.611 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 70.0 m-85 -112.06 126.2 54.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.4 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -110.61 128.52 55.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.81 99.66 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.853 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 pt-20 -104.26 92.38 4.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.048 0.452 . . . . 10.0 111.825 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.599 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.9 OUTLIER -78.79 81.18 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.922 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.643 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 21.2 t -80.59 -16.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.863 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.05 -73.46 1.09 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.663 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 71.6 m -154.0 113.86 3.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.839 0.352 . . . . 10.0 110.407 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.598 HD21 ' HA ' ' I' ' 23' ' ' ASP . 4.9 m120 -60.22 156.04 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.275 -0.875 . . . . 10.0 111.468 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.875 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.4 OUTLIER -150.77 -102.93 0.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.012 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -174.02 96.85 0.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 119.58 -1.295 . . . . 10.0 113.824 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -79.39 147.79 32.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 1.007 HD11 HG22 ' B' ' 39' ' ' VAL . 1.5 tp -104.44 106.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.631 0.729 . . . . 10.0 111.407 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.585 ' HB ' HG22 ' I' ' 32' ' ' ILE . 13.7 mm -112.89 126.98 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.369 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.04 117.72 3.57 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.762 -0.732 . . . . 10.0 111.537 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.44 HD23 HD13 ' K' ' 34' ' ' LEU . 90.3 mt -109.52 100.64 9.67 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.693 -0.298 . . . . 10.0 110.811 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.546 ' HE1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 mmt -108.53 29.23 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 10.0 109.794 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' I' ' 36' ' ' VAL . 16.4 t -70.66 109.46 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.034 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -146.71 136.17 6.08 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.751 -0.737 . . . . 10.0 112.221 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.56 137.34 9.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.512 -0.851 . . . . 10.0 111.871 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.935 HG22 HD12 ' B' ' 31' ' ' ILE . 2.9 p -121.86 128.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 10.0 110.779 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.605 ' HB ' HG13 ' I' ' 40' ' ' VAL . 73.2 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 7.3 mm-40 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.121 0.486 . . . . 10.0 110.631 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.855 HG12 ' HB ' ' J' ' 12' ' ' VAL . 5.0 m -94.42 123.96 46.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -82.96 92.65 7.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.401 -1.333 . . . . 10.0 107.401 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -83.81 105.17 14.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.316 0.579 . . . . 10.0 112.202 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -120.61 98.29 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.086 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -107.42 124.65 50.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.558 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' L' ' 17' ' ' LEU . 11.9 mt -125.38 106.46 9.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.801 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.2 m -124.74 130.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.32 0.581 . . . . 10.0 112.209 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 65.7 m-85 -124.75 124.98 43.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.106 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.21 109.25 18.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.772 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.51 112.86 24.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -113.85 115.39 27.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.611 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 5.1 t70 -100.86 123.66 45.39 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.799 0.333 . . . . 10.0 111.003 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.75 1.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.066 0.46 . . . . 10.0 110.052 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.39 -69.36 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.341 -0.933 . . . . 10.0 113.603 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -160.73 99.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.682 0.241 . . . . 10.0 110.645 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . 0.679 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 54.0 t30 -70.19 148.53 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.923 0.392 . . . . 10.0 111.56 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.875 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 6.5 ttpp -126.05 -89.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.297 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . 179.89 101.53 0.15 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.917 -1.135 . . . . 10.0 113.349 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.497 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -93.8 150.09 20.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.728 ' HA ' HG23 ' J' ' 31' ' ' ILE . 4.2 tt -101.75 115.3 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.612 0.968 . . . . 10.0 113.612 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.523 HG12 HD12 ' L' ' 32' ' ' ILE . 59.4 mt -116.89 108.78 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.082 -0.963 . . . . 10.0 108.778 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . 0.881 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -112.73 114.91 3.58 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.811 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.658 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.75 87.5 3.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.109 0.481 . . . . 10.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.833 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.3 mpp? -93.63 55.47 2.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.615 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 33.5 t -92.61 125.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.183 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . 0.66 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -148.01 172.39 28.32 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.638 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.39 155.98 27.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.963 -0.637 . . . . 10.0 111.908 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' J' ' 39' ' ' VAL . 11.4 p -144.64 130.77 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.603 HG22 ' HB ' ' L' ' 40' ' ' VAL . 81.9 t -135.64 143.89 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.469 ' HA ' ' CG2' ' C' ' 31' ' ' ILE . 5.5 tp -67.86 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.924 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.596 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 45.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.305 0.098 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' K' ' 11' ' ' GLU . 1.6 p -164.39 166.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.687 -0.405 . . . . 10.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.461 ' H ' HG22 ' L' ' 12' ' ' VAL . 79.6 t60 -97.42 140.85 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.884 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -131.34 99.14 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.442 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . 0.403 ' HB2' ' NE2' ' L' ' 13' ' ' HIS . 38.2 tt0 -110.4 128.63 55.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.016 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -132.55 115.94 16.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.257 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.459 ' HB2' HD23 ' K' ' 17' ' ' LEU . 7.4 mp -117.36 109.02 16.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.44 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.848 ' HB ' HG12 ' M' ' 18' ' ' VAL . 11.1 t -120.16 114.84 45.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.921 0.391 . . . . 10.0 110.314 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 25.8 m-85 -116.82 122.94 45.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -106.01 125.15 50.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.727 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 94.02 3.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.533 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.98 103.3 15.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.021 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.9 OUTLIER -100.53 89.96 4.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.114 0.483 . . . . 10.0 110.961 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 60.4 t -76.28 -28.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.055 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.59 -123.13 4.78 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.32 -0.943 . . . . 10.0 112.628 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -98.73 127.46 44.67 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.679 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.5 OUTLIER -82.41 157.84 23.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' K' ' 28' ' ' LYS . 41.8 tttt -140.03 -103.66 0.16 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 10.0 111.799 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . -165.58 88.8 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.934 -1.126 . . . . 10.0 113.703 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.39 150.88 23.52 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 1.049 HD11 ' HB ' ' D' ' 39' ' ' VAL . 0.8 OUTLIER -112.43 121.45 64.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.547 HG12 HD11 ' M' ' 32' ' ' ILE . 38.2 mt -113.76 110.76 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.719 -1.128 . . . . 10.0 109.371 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -104.81 109.32 3.28 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.347 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.0 mm? -99.29 83.55 2.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.968 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.0 mpp? -98.39 80.76 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.184 0.516 . . . . 10.0 110.582 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 14.5 t -111.43 125.41 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.456 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.847 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.55 119.77 1.32 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.21 -0.995 . . . . 10.0 113.215 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.26 145.23 16.5 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.227 -0.749 . . . . 10.0 111.227 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' M' ' 39' ' ' VAL . 1.4 m -131.88 161.16 41.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.96 0.409 . . . . 10.0 111.795 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.603 ' HB ' HG22 ' K' ' 40' ' ' VAL . 48.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.901 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . 0.753 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 6.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.724 0.773 . . . . 10.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.414 ' N ' HG21 ' N' ' 12' ' ' VAL . 19.4 m -119.33 139.47 46.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.291 -0.868 . . . . 10.0 111.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' N' ' 13' ' ' HIS . 6.0 t60 -80.99 102.3 10.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.999 -1.112 . . . . 10.0 107.999 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 100.94 12.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.312 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . 0.597 HE22 HG21 ' M' ' 36' ' ' VAL . 23.4 tt0 -118.58 109.38 16.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.372 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 10.0 111.569 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.825 HD22 HD23 ' M' ' 34' ' ' LEU . 4.2 mp -121.19 117.93 28.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.293 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.848 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.5 m -124.32 126.39 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.291 0.567 . . . . 10.0 111.977 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.521 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 22.0 m-85 -120.05 123.13 42.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.313 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -109.77 99.98 9.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.303 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.37 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -122.94 111.77 17.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.506 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.86 131.92 51.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.614 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.5 t -119.95 11.08 6.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.576 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.35 -69.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.177 -1.011 . . . . 10.0 113.156 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -157.15 109.84 2.49 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.64 -0.33 . . . . 10.0 110.799 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . 0.479 HD22 ' CG ' ' L' ' 23' ' ' ASP . 12.0 t-20 -73.06 166.71 22.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 0.0 OUTLIER -145.96 -102.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' M' ' 28' ' ' LYS . . . -150.12 78.09 0.22 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.518 -1.325 . . . . 10.0 114.31 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.37 133.65 35.23 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.874 HG23 HG12 ' N' ' 31' ' ' ILE . 8.4 tt -112.58 117.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.923 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.0 pt -115.9 123.8 71.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.085 -0.961 . . . . 10.0 110.344 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 1.045 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -114.69 117.0 3.93 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.671 -0.776 . . . . 10.0 112.406 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.825 HD23 HD22 ' M' ' 17' ' ' LEU . 7.2 mp -104.49 83.54 2.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.76 0.314 . . . . 10.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.939 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.9 mpp? -95.91 89.67 5.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.818 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.597 HG21 HE22 ' M' ' 15' ' ' GLN . 1.2 p -124.98 125.7 70.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.598 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -145.86 169.07 27.38 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.492 -0.861 . . . . 10.0 112.213 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.41 139.72 5.87 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.864 -0.684 . . . . 10.0 111.564 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' L' ' 39' ' ' VAL . 34.9 m -127.51 130.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.539 -0.171 . . . . 10.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' N' ' 40' ' ' VAL . 13.4 m -146.42 169.76 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 1.9 mm -148.16 118.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.055 . . . . 10.0 108.509 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.601 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.976 0.417 . . . . 10.0 111.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.435 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.3 OUTLIER -81.38 136.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.643 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' M' ' 13' ' ' HIS . 68.1 t60 -64.89 128.3 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.541 -0.754 . . . . 10.0 112.065 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -122.59 87.96 2.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' O' ' 15' ' ' GLN . 18.7 tt0 -99.85 127.06 46.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -130.36 113.45 14.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.089 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.464 HD22 HD13 ' N' ' 34' ' ' LEU . 5.6 mp -111.91 120.56 42.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.462 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 4.8 t -122.77 118.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.006 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 61.3 m-85 -122.26 122.16 38.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.714 0.292 . . . . 10.0 111.017 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -105.71 125.66 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.332 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.3 102.01 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -110.38 104.55 13.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.69 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 52.6 m-20 -100.09 93.64 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.423 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 98.3 t -75.53 -28.34 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.18 -73.09 1.07 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.46 -0.876 . . . . 10.0 112.006 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 41.9 t -177.87 132.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 15.4 p30 -93.49 157.69 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 10.0 111.208 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.698 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 22.8 tptm -115.4 -80.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.548 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.73 94.56 0.13 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.427 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -101.74 145.95 28.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.874 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -119.45 116.69 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.885 0.85 . . . . 10.0 112.496 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.923 ' HB ' HG22 ' M' ' 32' ' ' ILE . 72.1 mt -108.67 112.27 39.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.751 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -106.94 118.89 5.74 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.274 -0.965 . . . . 10.0 113.41 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.752 HD12 ' HG ' ' M' ' 34' ' ' LEU . 77.5 mt -111.33 101.84 10.28 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.55 ' O ' ' HA ' ' O' ' 35' ' ' MET . 6.4 mtm -117.18 98.16 6.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.066 0.46 . . . . 10.0 110.059 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.9 p -130.17 129.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.172 0.51 . . . . 10.0 111.317 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.74 139.18 9.17 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.802 -0.713 . . . . 10.0 111.623 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.3 151.15 20.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.735 -0.745 . . . . 10.0 111.847 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 22.6 m -134.37 136.34 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.776 0.322 . . . . 10.0 111.542 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.586 ' HB ' ' CG1' ' M' ' 40' ' ' VAL . 74.7 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.728 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 33.3 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.92 0.391 . . . . 10.0 110.802 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.56 179.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.945 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -119.41 114.55 22.49 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -99.05 102.63 14.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.005 0.431 . . . . 10.0 111.559 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . 0.562 ' HB3' ' HG3' ' N' ' 15' ' ' GLN . 3.3 mt-30 -112.46 99.78 8.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 40.2 mtmt -111.51 116.76 31.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.072 0.463 . . . . 10.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.19 113.82 25.17 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.3 p -129.81 122.72 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.479 0.657 . . . . 10.0 112.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.49 135.7 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.387 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -113.66 117.5 31.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 105.04 9.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -116.91 124.52 49.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.838 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . 0.442 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.8 t70 -108.28 141.88 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.382 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 2.8 t -125.74 8.22 4.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.839 0.352 . . . . 10.0 110.793 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 119.669 -1.253 . . . . 10.0 114.327 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.03 105.01 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.885 0.343 . . . . 10.0 111.191 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.881 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 49.8 t-20 -89.02 103.46 16.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.864 0.364 . . . . 10.0 110.727 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' P' ' 28' ' ' LYS . 1.0 OUTLIER -72.06 -47.1 54.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.354 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.427 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 117.57 124.6 3.49 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.267 -0.968 . . . . 10.0 113.251 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -108.22 176.33 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 1.02 HD11 ' HB ' ' G' ' 39' ' ' VAL . 0.3 OUTLIER -125.73 109.66 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.68 0.753 . . . . 10.0 110.683 178.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.489 HD11 HG12 ' N' ' 32' ' ' ILE . 5.1 pt -110.64 110.66 32.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.18 -0.918 . . . . 10.0 109.418 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.46 116.56 5.37 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.371 -0.919 . . . . 10.0 112.565 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.04 102.76 12.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.5 mtm -117.58 103.23 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.092 0.472 . . . . 10.0 110.85 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.847 HG12 ' HB ' ' P' ' 36' ' ' VAL . 4.2 m -124.72 139.38 51.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.924 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.98 147.11 18.98 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -145.14 138.32 7.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.847 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.433 HG11 ' HA3' ' G' ' 33' ' ' GLY . 1.4 m -126.72 151.62 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' P' ' 40' ' ' VAL . 7.0 p -170.05 145.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 110.913 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 30.3 mm -107.6 107.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 10.0 109.912 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.956 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . 0.728 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 1.1 pm0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.126 0.489 . . . . 10.0 110.787 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.28 135.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.312 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -95.59 125.53 40.25 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.731 -0.388 . . . . 10.0 110.432 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -111.09 112.43 24.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.018 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -129.5 97.05 4.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 12.3 ptmt -117.48 119.55 35.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.55 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.82 119.81 40.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.626 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -120.95 119.67 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.68 134.87 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.72 139.13 46.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.368 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.64 91.98 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 10.0 110.737 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -125.59 123.58 39.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . 0.607 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 7.1 t0 -125.02 130.07 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.151 0.5 . . . . 10.0 110.131 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.606 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 33.4 m -93.58 5.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.924 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.84 -78.68 0.28 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.111 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -133.76 106.46 7.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.535 0.207 . . . . 10.0 110.563 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.881 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.7 m120 -74.41 75.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' O' ' 28' ' ' LYS . 8.3 mmmm -58.83 -64.5 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.489 0.661 . . . . 10.0 109.893 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 91.12 151.35 26.51 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 115.295 -0.866 . . . . 10.0 112.089 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.35 -170.17 2.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.56 HD11 HG23 ' G' ' 39' ' ' VAL . 1.6 tt -105.6 118.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.13 0.491 . . . . 10.0 111.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.38 127.43 72.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.55 114.65 3.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.596 -0.812 . . . . 10.0 112.801 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.14 87.55 2.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.489 ' HG2' ' HA2' ' H' ' 37' ' ' GLY . 2.8 mpt? -100.77 103.85 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.77 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.847 ' HB ' HG12 ' O' ' 36' ' ' VAL . 44.9 t -126.05 121.41 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.97 134.87 8.38 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.543 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . 0.489 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -128.36 127.64 5.73 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.574 -0.611 . . . . 10.0 111.574 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.581 HG11 ' HA3' ' H' ' 33' ' ' GLY . 15.9 m -117.04 126.04 74.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.936 0.398 . . . . 10.0 111.367 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 47.3 t . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 10.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.552 ' HG3' HG22 ' B' ' 12' ' ' VAL . 20.2 mm-40 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.195 -0.298 . . . . 10.0 110.195 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -103.41 165.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -177.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.421 ' H ' HG12 ' A' ' 12' ' ' VAL . 27.9 t60 -102.2 116.8 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.561 -1.199 . . . . 10.0 107.998 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -103.37 113.28 26.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.016 0.436 . . . . 10.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.03 115.41 20.49 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.873 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -130.26 122.46 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.67 104.73 9.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -115.87 123.04 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -109.53 110.67 21.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.116 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.74 100.24 10.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -106.97 119.93 40.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.923 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 2.5 mm-40 -85.59 167.18 15.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.02 103.68 4.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.442 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.663 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.2 t -132.46 -32.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.055 0.455 . . . . 10.0 110.246 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -104.86 -159.3 23.59 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.069 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -64.01 122.29 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.385 0.274 . . . . 10.0 110.492 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.38 156.88 35.42 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 16.7 tptm -153.25 -99.03 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.564 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.18 128.53 0.96 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.978 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -86.5 174.31 9.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 10.0 111.788 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 mm -121.38 92.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.799 HG22 ' HB ' ' B' ' 32' ' ' ILE . 11.7 pt -117.38 126.46 74.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.226 0.536 . . . . 10.0 112.21 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.14 116.43 3.62 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.573 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' B' ' 34' ' ' LEU . 80.3 mt -99.68 99.33 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.808 0.337 . . . . 10.0 111.266 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.76 18.72 18.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.106 0.479 . . . . 10.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 43.3 t -62.86 129.02 25.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.738 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.8 166.29 34.39 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.525 -0.845 . . . . 10.0 112.265 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -165.13 151.44 20.31 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.051 -0.82 . . . . 10.0 111.051 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.804 HG13 HG23 ' B' ' 39' ' ' VAL . 3.3 p -153.53 129.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.966 0.413 . . . . 10.0 111.167 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.084 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.981 0.419 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -107.15 94.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -77.55 111.44 13.28 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.14 89.59 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.368 0.604 . . . . 10.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -106.13 105.29 15.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -122.1 121.69 37.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.251 0.548 . . . . 10.0 111.958 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.12 115.24 27.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.183 -0.917 . . . . 10.0 109.619 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' C' ' 18' ' ' VAL . 11.0 t -116.53 120.41 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.08 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CZ ' HD11 ' B' ' 34' ' ' LEU . 84.1 m-85 -118.23 121.11 39.65 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' C' ' 20' ' ' PHE . 17.3 m-85 -108.14 121.84 45.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -138.53 95.83 3.05 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 3.9 pt-20 -105.61 94.9 5.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.502 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -79.95 89.6 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.758 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.663 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.7 t -87.65 -21.24 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.46 -65.97 1.11 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.194 -1.003 . . . . 10.0 111.475 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.511 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 49.4 m -157.72 119.52 3.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.2 m120 -64.63 153.33 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.157 0.504 . . . . 10.0 110.821 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 4.9 tppt? -147.61 -110.97 0.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.628 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -170.24 104.63 0.21 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.928 -1.129 . . . . 10.0 112.973 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -82.62 148.65 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' C' ' 31' ' ' ILE . 14.3 mm -97.73 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 32' ' ' ILE . 57.8 mt -120.57 120.83 63.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.055 0.455 . . . . 10.0 111.37 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.437 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -116.89 122.81 5.59 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.764 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 34' ' ' LEU . 2.8 mm? -109.05 91.64 3.72 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.364 -0.235 . . . . 10.0 110.364 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -105.65 41.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.227 0.537 . . . . 10.0 110.471 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 28.0 t -78.66 109.14 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.378 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.88 140.34 11.5 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.709 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 38' ' ' GLY . . . -139.74 135.39 7.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.035 -0.603 . . . . 10.0 111.778 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.804 HG23 HG13 ' A' ' 39' ' ' VAL . 12.1 p -129.59 133.85 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.017 0.437 . . . . 10.0 111.46 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' C' ' 40' ' ' VAL . 67.5 t -131.25 141.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.592 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.8 HG12 HG21 ' J' ' 31' ' ' ILE . 19.5 mt -60.01 129.95 23.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.587 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.593 ' H ' HD13 ' I' ' 31' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.668 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.996 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.009 0.433 . . . . 10.0 111.276 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.518 HG12 ' HB ' ' B' ' 12' ' ' VAL . 3.8 m -98.92 113.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -83.69 93.56 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.24 102.42 14.46 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.233 0.54 . . . . 10.0 111.965 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -115.63 92.66 3.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.293 -0.867 . . . . 10.0 108.919 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.632 ' HB3' ' HG3' ' D' ' 16' ' ' LYS . 84.5 tttt -105.93 119.89 40.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.314 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.484 HD13 HD23 ' C' ' 34' ' ' LEU . 21.3 mt -119.94 111.51 18.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.434 -0.95 . . . . 10.0 108.434 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' B' ' 18' ' ' VAL . 10.4 p -131.58 130.73 62.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.597 0.713 . . . . 10.0 112.676 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' D' ' 19' ' ' PHE . 52.3 m-85 -124.72 126.61 45.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.069 -0.968 . . . . 10.0 110.031 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . 98.0 m-85 -110.08 114.82 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.896 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.78 102.93 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.088 0.47 . . . . 10.0 109.763 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.51 ' HA ' ' HG3' ' B' ' 22' ' ' GLU . 53.0 mt-10 -102.12 129.05 48.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.909 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 1.7 t70 -117.63 124.04 47.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.678 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 17.4 m -128.46 13.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.129 0.49 . . . . 10.0 109.841 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -130.25 -63.47 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.005 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.1 p -175.17 90.63 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 64.2 t30 -62.56 151.57 37.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.325 0.583 . . . . 10.0 112.43 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 71.9 tttt -132.39 -98.95 0.29 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.307 -0.86 . . . . 10.0 110.402 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -169.28 106.6 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.565 -1.302 . . . . 10.0 113.524 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.42 153.68 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.653 HD12 HG22 ' K' ' 39' ' ' VAL . 7.0 pt -102.59 118.92 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.713 0.768 . . . . 10.0 112.094 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -123.06 101.14 9.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.99 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.54 109.43 3.44 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.642 -0.789 . . . . 10.0 112.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.3 mp -97.95 79.26 2.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.1 0.476 . . . . 10.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.805 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.5 mpp? -94.64 60.49 2.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.45 0.643 . . . . 10.0 110.118 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 40.7 t -91.75 120.14 40.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.145 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.857 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -134.85 147.0 18.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.199 -1.001 . . . . 10.0 113.225 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.92 145.49 17.21 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.932 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.2 t -137.7 131.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.769 0.319 . . . . 10.0 111.237 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' B' ' 40' ' ' VAL . 72.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.176 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 40.8 mt-10 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.482 0.182 . . . . 10.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.996 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 4.3 p -131.24 149.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.832 -0.347 . . . . 10.0 111.433 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 134.06 34.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.862 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.04 94.43 3.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.092 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 27.8 pt20 -116.48 132.59 56.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 10.0 111.506 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.632 ' HG3' ' HB3' ' C' ' 16' ' ' LYS . 36.9 ttpt -134.65 121.4 20.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.656 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.3 115.16 28.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.538 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.775 ' HB ' HG12 ' E' ' 18' ' ' VAL . 16.1 t -122.34 116.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.634 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' C' ' 19' ' ' PHE . 22.9 m-85 -118.68 125.35 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.674 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -108.87 121.62 45.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.85 105.3 8.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -109.04 101.18 10.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.29 118.26 31.05 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' CG2' ' C' ' 24' ' ' VAL . 69.3 t -109.65 -30.77 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.459 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.2 -103.71 1.32 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.601 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.476 ' H ' ' HA ' ' E' ' 26' ' ' SER . 0.8 OUTLIER -120.41 106.54 11.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.525 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -63.26 149.9 44.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.828 0.347 . . . . 10.0 110.874 -179.503 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 27.5 tttm -135.43 -84.71 0.39 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.836 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.87 102.81 0.16 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.021 -1.085 . . . . 10.0 113.596 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.708 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -87.02 161.88 17.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 2.0 pt -110.72 115.42 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.862 0.839 . . . . 10.0 111.473 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.08 108.69 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.771 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.874 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.8 110.45 3.41 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.663 -0.779 . . . . 10.0 112.207 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.2 mm? -97.54 84.62 3.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.611 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 10.7 mtm -100.54 71.84 1.54 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.171 0.51 . . . . 10.0 110.336 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.491 ' HB ' HG13 ' C' ' 36' ' ' VAL . 23.9 t -98.97 123.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.908 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.966 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -138.88 143.53 14.25 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.08 -1.057 . . . . 10.0 112.687 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 133.95 4.7 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.865 HG23 HD11 ' M' ' 31' ' ' ILE . 12.1 m -131.19 141.15 46.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.033 0.444 . . . . 10.0 112.191 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' E' ' 40' ' ' VAL . 39.5 t -131.45 132.08 62.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.344 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.17 131.5 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 10.0 111.096 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.657 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.842 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 4.4 mp0 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.624 0.726 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.43 142.44 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.996 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -90.42 106.93 18.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 106.65 18.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.7 tp60 -118.91 103.97 10.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -118.31 126.04 51.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.239 0.542 . . . . 10.0 111.759 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' F' ' 17' ' ' LEU . 13.0 mt -119.83 111.7 18.31 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.5 OUTLIER -122.71 119.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.321 0.581 . . . . 10.0 112.05 -179.04 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -120.64 124.0 44.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.595 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 108.94 9.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.044 0.45 . . . . 10.0 110.146 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.55 132.95 55.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.87 150.72 30.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 2.1 t -138.54 10.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.669 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' D' ' 25' ' ' GLY . . . -142.19 -57.81 0.03 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.249 -0.977 . . . . 10.0 114.136 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' D' ' 26' ' ' SER . 0.3 OUTLIER -168.69 124.45 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.014 0.407 . . . . 10.0 110.853 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -86.5 164.2 17.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 111.374 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 12.9 mttt -142.48 -97.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.378 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.708 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -172.42 103.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.964 -1.112 . . . . 10.0 113.631 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.62 149.72 27.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 7.9 mt -103.67 88.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.37 117.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.212 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.502 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -123.46 106.05 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.101 -1.047 . . . . 10.0 113.361 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -96.41 88.86 4.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -105.07 72.23 0.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.591 0.71 . . . . 10.0 110.451 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' F' ' 36' ' ' VAL . 31.3 m -101.38 133.72 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.609 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -138.41 152.52 22.02 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.413 -0.899 . . . . 10.0 112.729 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 128.93 4.19 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.928 HG21 ' HA3' ' M' ' 33' ' ' GLY . 55.2 t -126.29 117.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.061 0.458 . . . . 10.0 111.828 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' D' ' 40' ' ' VAL . 60.7 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.814 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.782 ' HG3' ' HG3' ' E' ' 11' ' ' GLU . 2.3 tp10 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.315 -0.254 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.984 ' HB ' HG12 ' G' ' 12' ' ' VAL . 7.2 t -89.82 91.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -71.92 126.68 30.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.431 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -125.3 97.24 5.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.175 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' G' ' 15' ' ' GLN . 8.1 tt0 -112.89 115.75 28.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -130.37 123.7 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.382 0.61 . . . . 10.0 112.385 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' E' ' 17' ' ' LEU . 7.3 mp -113.76 117.24 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.057 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.943 ' HB ' HG12 ' G' ' 18' ' ' VAL . 15.2 t -119.96 118.44 56.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -120.11 123.19 42.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -107.11 129.11 54.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.153 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.19 109.0 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.801 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -121.15 100.21 6.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.252 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.531 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 35.7 m-20 -103.16 104.3 14.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.351 0.596 . . . . 10.0 109.57 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.658 HG22 ' HA ' ' G' ' 24' ' ' VAL . 17.2 m -93.15 7.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.017 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' G' ' 25' ' ' GLY . . . -117.91 -90.91 1.46 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.023 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -137.83 100.35 4.16 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.77 142.27 58.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.179 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -124.38 -70.29 0.76 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 144.69 106.6 0.53 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 119.831 -1.176 . . . . 10.0 114.277 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -86.06 155.28 20.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.657 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 18.0 tt -104.93 111.82 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.705 0.764 . . . . 10.0 111.717 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.559 HG12 HD12 ' G' ' 32' ' ' ILE . 38.3 mt -114.71 114.26 46.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.676 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.81 111.09 3.44 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.282 -0.727 . . . . 10.0 111.282 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.2 mm? -95.09 72.61 3.38 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.456 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -84.42 70.51 10.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.815 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.2 t -103.31 110.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.243 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -120.81 146.63 17.57 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.538 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 142.54 13.53 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.985 ' HB ' HG12 ' G' ' 39' ' ' VAL . 1.8 t -134.96 135.46 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 122.095 0.158 . . . . 10.0 110.631 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.452 HG23 HG13 ' G' ' 40' ' ' VAL . 7.5 p -151.02 145.37 16.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.619 0.247 . . . . 10.0 110.537 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 tt -99.41 144.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.768 0.318 . . . . 10.0 110.593 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.939 -179.736 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' F' ' 11' ' ' GLU . 2.4 mt-10 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.334 0.587 . . . . 10.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.984 HG12 ' HB ' ' F' ' 12' ' ' VAL . 12.7 m -122.8 133.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.775 . . . . 10.0 112.112 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -92.65 100.21 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 103.87 14.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.11 0.481 . . . . 10.0 112.072 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' F' ' 15' ' ' GLN . 4.2 tp60 -106.55 96.02 6.16 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.74 110.48 21.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.478 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' H' ' 17' ' ' LEU . 15.3 mt -118.1 113.83 22.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -131.67 131.06 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.3 127.14 42.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -112.66 119.35 37.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.774 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 117.6 30.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.8 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -120.57 115.09 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.783 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.414 ' O ' HG22 ' F' ' 24' ' ' VAL . 10.3 t70 -110.98 125.51 53.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.898 0.38 . . . . 10.0 110.343 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' F' ' 24' ' ' VAL . 2.9 t -114.7 9.5 7.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.094 0.474 . . . . 10.0 110.406 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' F' ' 25' ' ' GLY . . . -139.81 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.99 -1.1 . . . . 10.0 113.866 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -150.39 103.2 3.12 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.633 -0.334 . . . . 10.0 111.184 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.73 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 21.0 t-20 -62.06 146.86 49.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.364 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' H' ' 28' ' ' LYS . 25.4 tttp -126.18 -84.77 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 169.35 104.24 0.17 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 119.855 -1.164 . . . . 10.0 113.605 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.42 ' HA ' ' CA ' ' H' ' 29' ' ' GLY . . . -84.97 154.67 22.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.548 HD12 HG23 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -101.28 94.41 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.559 HD12 HG12 ' F' ' 32' ' ' ILE . 60.2 mt -104.52 105.14 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 10.0 110.842 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -109.69 92.97 0.73 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.607 HD21 HD13 ' G' ' 17' ' ' LEU . 14.5 tp -87.88 69.93 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 10.0 110.077 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HB2' ' H' ' 35' ' ' MET . 8.6 ptp -81.79 83.36 7.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.8 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.73 HG13 ' HB ' ' H' ' 36' ' ' VAL . 62.8 t -101.72 122.83 54.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.43 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' SD ' ' O' ' 35' ' ' MET . . . -127.26 141.84 12.99 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.52 -0.847 . . . . 10.0 112.172 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.27 120.86 1.21 Allowed Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.577 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.985 HG12 ' HB ' ' F' ' 39' ' ' VAL . 34.7 m -126.85 133.76 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.369 0.604 . . . . 10.0 111.329 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.631 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -56.25 133.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 123.437 0.461 . . . . 10.0 109.969 178.301 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.69 133.61 53.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -115.65 115.16 25.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.59 112.74 19.3 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.002 0.429 . . . . 10.0 111.459 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -119.44 111.26 17.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.491 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD23 ' G' ' 17' ' ' LEU . 7.2 mp -116.82 111.05 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.307 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -120.28 125.38 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.553 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.01 133.54 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -113.54 127.72 56.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.822 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.05 83.07 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.215 0.531 . . . . 10.0 109.857 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.22 160.41 14.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.217 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -154.67 138.05 15.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.401 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.48 20.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.29 -73.41 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -147.18 94.65 2.43 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.73 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 25.0 t-20 -52.47 126.36 19.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 0.7 OUTLIER -104.82 -90.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.053 0.454 . . . . 10.0 110.366 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' G' ' 30' ' ' ALA . . . 160.61 113.57 0.32 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.669 -0.777 . . . . 10.0 112.319 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.09 158.12 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.868 0.366 . . . . 10.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.548 HG23 HD12 ' G' ' 31' ' ' ILE . 1.7 mp -97.18 99.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.39 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -110.17 107.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.812 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.52 77.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.753 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.86 109.93 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.938 0.399 . . . . 10.0 110.701 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.535 ' HB2' ' HG3' ' G' ' 35' ' ' MET . 12.6 ttm -112.1 113.36 25.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.73 ' HB ' HG13 ' G' ' 36' ' ' VAL . 82.6 t -98.59 123.71 51.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.6 90.6 0.59 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.022 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.53 115.41 5.13 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.72 128.31 62.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.0 p -158.07 152.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.557 0.217 . . . . 10.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.69 158.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.905 0.384 . . . . 10.0 111.053 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.556 -0.735 . . . . 10.0 110.521 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' J' ' 11' ' ' GLU . 2.7 mp0 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.45 178.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.545 0.688 . . . . 10.0 112.534 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -101.59 113.48 26.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.662 -1.154 . . . . 10.0 109.298 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -99.62 101.65 12.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.74 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.57 117.76 35.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.595 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -121.61 115.51 22.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.072 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mp -128.35 106.21 8.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.91 134.09 60.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.262 0.553 . . . . 10.0 112.384 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.68 109.82 17.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.662 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -92.59 97.52 10.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 10.0 110.749 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.71 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.399 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 0.3 OUTLIER -84.47 164.73 18.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.203 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.87 108.02 6.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.105 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 14.6 t -136.46 -28.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.91 0.386 . . . . 10.0 110.723 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -112.69 -157.79 13.3 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.214 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 1.2 m -65.87 124.8 23.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.787 0.293 . . . . 10.0 110.42 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.539 ' HA ' ' HB2' ' J' ' 27' ' ' ASN . 1.0 OUTLIER -77.92 150.61 34.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.279 . . . . 10.0 111.675 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.431 ' HD3' ' HG3' ' J' ' 28' ' ' LYS . 15.9 mtpt -141.58 -90.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.136 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.29 121.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.086 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -78.95 168.94 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.039 0.447 . . . . 10.0 112.088 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.593 HD13 ' H ' ' B' ' 42' ' ' ALA . 16.1 mt -112.33 88.53 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.401 -0.963 . . . . 10.0 108.401 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.78 131.1 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 10.0 111.852 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.45 114.01 2.36 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.174 -0.771 . . . . 10.0 111.174 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -105.32 103.99 13.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.731 0.301 . . . . 10.0 111.518 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -116.97 16.61 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.243 0.544 . . . . 10.0 109.583 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' J' ' 36' ' ' VAL . 41.0 t -62.7 133.5 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.089 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . -170.03 -173.69 37.63 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.79 -0.719 . . . . 10.0 111.913 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 160.87 24.38 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.27 -0.732 . . . . 10.0 111.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.542 HG13 HG23 ' J' ' 39' ' ' VAL . 8.1 p -152.33 141.63 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.82 0.31 . . . . 10.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.793 HG12 ' HB ' ' J' ' 40' ' ' VAL . 4.1 m -132.71 -173.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 pt -88.06 125.36 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.212 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.483 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HG3' ' I' ' 11' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.936 0.398 . . . . 10.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.715 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.8 t -102.97 107.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -83.6 118.46 23.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.24 87.98 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.847 0.356 . . . . 10.0 110.257 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.2 103.62 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.997 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -114.17 108.68 17.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.697 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' K' ' 17' ' ' LEU . 6.5 mp -110.62 106.36 15.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.842 ' HB ' HG12 ' K' ' 18' ' ' VAL . 28.0 t -115.16 118.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.506 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' J' ' 34' ' ' LEU . 79.7 m-85 -113.95 127.62 56.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.625 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -113.27 126.86 55.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.572 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.49 93.56 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.947 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 6.7 pt-20 -100.5 93.43 5.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -78.35 85.73 4.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.968 179.035 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.577 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 47.5 t -83.12 -26.07 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.16 -67.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.011 -1.09 . . . . 10.0 111.433 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 0.0 OUTLIER -156.75 121.91 4.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.539 ' HB2' ' HA ' ' I' ' 27' ' ' ASN . 8.4 m120 -65.73 156.73 32.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.35 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.746 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 0.0 OUTLIER -151.76 -116.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.208 178.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -156.31 87.99 0.12 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 119.848 -1.168 . . . . 10.0 114.009 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.504 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -75.68 141.24 42.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.913 HG23 ' HA ' ' K' ' 31' ' ' ILE . 1.5 tt -101.82 110.34 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 10.0 111.908 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -117.57 117.89 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.321 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.74 116.1 3.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.638 -0.791 . . . . 10.0 111.352 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' J' ' 19' ' ' PHE . 40.8 mt -107.08 100.22 9.72 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.645 -0.327 . . . . 10.0 111.141 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mmt -107.65 34.33 3.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.192 0.52 . . . . 10.0 110.113 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 22.3 t -72.29 118.7 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.918 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -151.61 137.32 5.92 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.214 -0.993 . . . . 10.0 112.977 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.87 139.0 10.58 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.567 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.591 HG13 HG23 ' K' ' 39' ' ' VAL . 3.6 p -130.0 127.89 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.95 0.405 . . . . 10.0 110.996 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.793 ' HB ' HG12 ' I' ' 40' ' ' VAL . 62.1 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.488 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 31.4 mm-40 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.658 0.265 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.715 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -109.07 114.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 10.0 111.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -79.73 94.07 5.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -84.91 105.67 15.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.423 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -122.81 89.63 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.675 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -105.77 124.48 49.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.088 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' K' ' 34' ' ' LEU . 11.9 mt -123.41 111.71 16.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.408 -0.814 . . . . 10.0 108.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.842 HG12 ' HB ' ' J' ' 18' ' ' VAL . 5.5 m -124.86 130.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.313 0.577 . . . . 10.0 112.425 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -125.84 118.69 26.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.202 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -107.36 109.05 20.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.879 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.64 109.88 19.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 50.8 mt-10 -112.96 117.1 31.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.232 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -108.06 129.95 55.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.704 -0.225 . . . . 10.0 110.538 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 6.8 m -131.83 17.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.127 0.489 . . . . 10.0 109.92 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.4 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.241 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 89.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.536 0.334 . . . . 10.0 110.685 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 58.8 t30 -62.38 151.29 37.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 10.0 111.863 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.746 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 42.0 tttp -131.66 -92.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.067 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -170.7 104.52 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.592 -1.289 . . . . 10.0 113.697 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 139.46 34.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.913 ' HA ' HG23 ' J' ' 31' ' ' ILE . 0.3 OUTLIER -94.72 110.74 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 10.0 112.708 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.23 113.52 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.984 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . 0.932 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -117.76 119.68 4.49 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.598 -0.811 . . . . 10.0 112.735 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.675 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 7.3 mp -101.43 88.19 3.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 10.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.857 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.8 mpp? -94.57 61.15 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.742 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 24.0 t -95.3 115.14 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.033 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . 0.805 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -140.49 149.51 20.97 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.727 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.68 150.96 23.22 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.73 -0.748 . . . . 10.0 112.077 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.703 HG13 ' HB ' ' L' ' 39' ' ' VAL . 4.8 p -136.22 126.4 40.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 10.0 110.547 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.453 HG13 ' HB ' ' L' ' 40' ' ' VAL . 44.6 t -123.45 142.79 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.098 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.622 ' HA ' HG21 ' C' ' 31' ' ' ILE . 20.4 tt -81.32 134.45 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.95 0.405 . . . . 10.0 111.308 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.257 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . 0.489 ' HG3' ' HB3' ' M' ' 11' ' ' GLU . 81.2 mt-10 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 111.519 0.192 . . . . 10.0 111.519 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.536 HG22 ' H ' ' L' ' 13' ' ' HIS . 1.5 p -118.33 166.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.536 ' H ' HG22 ' L' ' 12' ' ' VAL . 82.5 t60 -103.11 133.74 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.184 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -122.59 106.36 10.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -116.67 121.4 41.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.098 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -130.89 117.04 18.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 10.0 111.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.3 115.78 28.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.36 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.898 ' HB ' HG12 ' M' ' 18' ' ' VAL . 18.6 t -122.4 115.39 45.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.486 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -119.12 124.37 46.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -109.66 124.76 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.53 101.6 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -107.21 102.34 11.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.28 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.493 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.0 OUTLIER -96.63 98.24 10.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.125 -179.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.681 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 96.6 t -82.05 -32.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.04 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.53 -140.86 11.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.199 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -81.52 127.4 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' K' ' 27' ' ' ASN . 0.6 OUTLIER -82.64 156.51 23.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 3.0 ttpt -136.78 -81.69 0.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.11 100.67 0.16 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.641 -1.266 . . . . 10.0 113.942 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -89.16 162.26 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.079 -1.082 . . . . 10.0 108.079 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.845 HD11 ' HB ' ' D' ' 39' ' ' VAL . 3.4 tt -121.17 124.2 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.232 -0.587 . . . . 10.0 112.207 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -120.39 110.5 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.263 -0.881 . . . . 10.0 109.81 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.762 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -100.71 109.17 3.61 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.675 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -94.89 78.06 3.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.828 0.347 . . . . 10.0 110.7 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.966 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 4.9 mpp? -90.72 77.83 6.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.285 0.564 . . . . 10.0 109.784 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 23.9 t -105.83 125.58 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.09 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.611 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -140.31 158.51 25.95 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.341 -0.933 . . . . 10.0 112.727 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.71 138.54 5.48 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 1.051 HG13 HG12 ' M' ' 39' ' ' VAL . 0.3 OUTLIER -138.07 136.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.192 0.52 . . . . 10.0 112.144 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.453 ' HB ' HG13 ' K' ' 40' ' ' VAL . 69.5 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.079 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . 0.489 ' HB3' ' HG3' ' L' ' 11' ' ' GLU . 71.3 mm-40 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.167 0.508 . . . . 10.0 111.251 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.416 ' N ' HG21 ' N' ' 12' ' ' VAL . 20.5 m -115.11 138.32 45.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.343 0.592 . . . . 10.0 112.284 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -79.67 111.43 15.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.873 -1.158 . . . . 10.0 107.873 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.07 97.41 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 10.0 111.028 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -104.3 108.88 20.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.609 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . 0.56 ' HB3' ' HG2' ' N' ' 16' ' ' LYS . 82.6 tttt -122.66 121.53 36.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.273 0.559 . . . . 10.0 111.59 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -121.34 114.16 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.4 OUTLIER -126.2 124.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.307 0.575 . . . . 10.0 112.35 -179.026 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.608 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 20.2 m-85 -123.93 128.74 49.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.448 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -117.95 110.43 17.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.267 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.8 117.47 31.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -126.93 114.66 18.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.473 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.32 136.68 47.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.493 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.681 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -124.01 16.63 4.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.679 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.86 -66.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.897 -1.144 . . . . 10.0 113.776 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 33.2 m -158.16 98.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.582 -0.364 . . . . 10.0 110.772 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.16 140.89 43.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.317 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' L' ' 28' ' ' LYS . 9.0 mttp -114.16 -100.47 0.43 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.36 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -164.16 90.51 0.1 Allowed Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.801 -1.19 . . . . 10.0 113.654 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -80.0 137.06 36.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.865 HD11 HG23 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -96.08 107.02 19.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.385 0.612 . . . . 10.0 111.429 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.09 128.61 67.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.725 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 0.928 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -132.07 121.64 3.09 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.463 -0.875 . . . . 10.0 112.293 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.4 mp -108.15 98.5 8.04 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.557 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 4.8 mtm -105.06 93.04 4.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.484 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' N' ' 36' ' ' VAL . 2.1 p -127.12 121.25 57.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.281 0.563 . . . . 10.0 111.057 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -144.68 172.44 25.61 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.114 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.19 9.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.076 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 1.051 HG12 HG13 ' L' ' 39' ' ' VAL . 32.8 m -128.35 132.13 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.806 HG12 ' HB ' ' N' ' 40' ' ' VAL . 27.3 m -148.0 165.89 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.19 0.519 . . . . 10.0 112.05 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.457 HD11 HG21 ' D' ' 31' ' ' ILE . 4.5 mm -138.64 113.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.568 -179.564 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.369 0.604 . . . . 10.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.458 HG11 ' C ' ' M' ' 11' ' ' GLU . 0.5 OUTLIER -76.29 140.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.667 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.27 136.46 54.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.792 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.47 71.65 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.229 -0.896 . . . . 10.0 108.947 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . 0.74 HE22 HG11 ' N' ' 36' ' ' VAL . 23.1 tt0 -86.17 115.13 23.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' M' ' 16' ' ' LYS . 17.4 mttt -129.31 113.56 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.263 0.554 . . . . 10.0 110.928 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.701 HD22 HD13 ' N' ' 34' ' ' LEU . 6.0 mp -113.03 129.26 56.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.726 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 3.3 t -127.18 119.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.905 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -119.6 124.81 47.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.724 0.297 . . . . 10.0 110.592 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -106.89 124.32 49.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.687 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 93.36 3.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.149 -0.685 . . . . 10.0 109.149 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -106.13 99.53 9.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.33 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.538 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 26.6 m-20 -97.01 105.95 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.233 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.558 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 85.6 t -82.35 -26.64 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.273 0.559 . . . . 10.0 109.925 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.89 -86.56 1.88 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.201 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.6 m -162.4 128.88 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.538 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.8 p30 -92.12 158.8 15.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 10.0 111.172 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 1.038 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 32.5 mttm -116.8 -75.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.434 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -168.82 80.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 119.92 -1.133 . . . . 10.0 113.73 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.441 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -85.21 132.51 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.709 HD12 HG13 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -97.33 119.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.57 0.7 . . . . 10.0 112.148 -179.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.566 HG12 HD12 ' O' ' 32' ' ' ILE . 74.1 mt -112.79 101.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.972 -1.013 . . . . 10.0 108.474 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.682 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -108.25 117.5 5.1 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.977 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.701 HD13 HD22 ' N' ' 17' ' ' LEU . 49.4 mt -109.19 107.36 17.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.554 ' O ' ' HA ' ' O' ' 35' ' ' MET . 5.8 mtm -115.63 101.19 8.62 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.74 HG11 HE22 ' N' ' 15' ' ' GLN . 1.6 p -132.29 131.03 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.127 0.489 . . . . 10.0 111.669 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' M' ' 37' ' ' GLY . . . -147.03 136.99 6.4 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.648 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.1 154.38 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.783 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 20.1 m -135.24 132.77 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.967 0.413 . . . . 10.0 111.904 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.806 ' HB ' HG12 ' M' ' 40' ' ' VAL . 69.3 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.78 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 24.5 mt-10 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.082 0.468 . . . . 10.0 110.955 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -69.96 158.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 10.0 112.343 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -99.54 100.36 11.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.6 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -90.65 111.17 22.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.428 . . . . 10.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.0 105.07 11.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.776 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' P' ' 16' ' ' LYS . 1.7 tppp? -110.97 104.17 12.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.689 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.626 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -109.67 115.09 29.24 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.654 -0.869 . . . . 10.0 108.654 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 6.4 p -134.99 125.44 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.483 0.659 . . . . 10.0 112.535 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.4 132.11 55.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.292 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.61 109.13 20.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.351 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.97 97.63 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.064 0.459 . . . . 10.0 109.836 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.05 127.7 56.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.911 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 2.3 t70 -111.94 145.57 39.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.647 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.1 t -126.78 8.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 10.0 110.439 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' N' ' 25' ' ' GLY . . . -148.34 -64.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.431 -0.89 . . . . 10.0 113.186 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.71 100.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.855 0.359 . . . . 10.0 110.838 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.575 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 38.0 t30 -78.86 122.69 26.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.61 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 1.038 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 28.3 tttm -88.37 -72.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.62 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 147.27 124.62 1.53 Allowed Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.297 -0.954 . . . . 10.0 112.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -105.17 168.93 8.74 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.338 -0.615 . . . . 10.0 109.338 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' P' ' 31' ' ' ILE . 2.6 pt -103.73 94.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.909 0.861 . . . . 10.0 110.85 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.566 HD12 HG12 ' N' ' 32' ' ' ILE . 61.4 mt -90.23 111.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.855 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.53 111.86 1.95 Allowed Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.182 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.11 101.39 10.19 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.554 ' HA ' ' O ' ' N' ' 35' ' ' MET . 1.6 mtm -113.24 98.38 7.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.176 0.512 . . . . 10.0 110.166 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.4 m -125.77 159.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.03 -179.28 48.01 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.391 -0.909 . . . . 10.0 112.09 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' P' ' 38' ' ' GLY . . . -170.66 152.58 19.06 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.459 -0.877 . . . . 10.0 112.939 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' P' ' 39' ' ' VAL . 2.4 m -126.81 145.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.585 HG13 HG22 ' N' ' 40' ' ' VAL . 2.7 p -165.45 138.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 10.0 111.07 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 34.4 mm -97.96 105.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 110.019 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.519 179.885 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 1.1 pm0 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.95 0.405 . . . . 10.0 110.712 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.87 141.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.442 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.74 119.93 40.39 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.572 -0.451 . . . . 10.0 110.374 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -111.54 97.69 6.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.851 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -115.68 119.1 34.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' O' ' 16' ' ' LYS . 14.5 ptmt -136.0 117.18 14.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.106 0.479 . . . . 10.0 111.627 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.4 mp -113.73 105.06 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.92 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.14 117.63 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.074 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -121.48 138.43 54.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.2 128.73 56.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.447 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.39 72.26 1.43 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.173 0.511 . . . . 10.0 109.962 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.09 130.15 53.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 6.1 t70 -133.14 125.97 30.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 10.0 110.262 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.56 -5.2 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.342 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.99 -64.44 0.37 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.507 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 20.2 m -157.05 113.64 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.575 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 2.1 m120 -73.95 77.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -55.18 -54.09 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.096 0.474 . . . . 10.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 91.96 132.78 5.83 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.73 -0.747 . . . . 10.0 112.783 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.74 -152.41 0.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.285 -0.265 . . . . 10.0 110.285 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.641 ' HA ' HG13 ' O' ' 31' ' ' ILE . 45.9 pt -104.37 125.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.898 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' O' ' 32' ' ' ILE . 25.7 mt -126.53 88.78 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.66 108.31 2.62 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.571 -0.824 . . . . 10.0 113.076 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' P' ' 34' ' ' LEU . 3.2 mm? -108.94 111.38 23.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.665 0.269 . . . . 10.0 110.441 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' O' ' 35' ' ' MET . 2.9 mpt? -115.77 103.57 10.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.94 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' O' ' 36' ' ' VAL . 40.5 t -126.88 114.82 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.692 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.468 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -131.45 156.6 21.92 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.081 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' O' ' 38' ' ' GLY . . . -138.14 154.08 22.66 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.409 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' O' ' 39' ' ' VAL . 18.5 m -130.63 131.24 64.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 10.0 111.034 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 29.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.703 -0.665 . . . . 10.0 110.379 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.598 ' HB3' HG22 ' B' ' 12' ' ' VAL . 2.1 mm-40 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.272 0.558 . . . . 10.0 110.054 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.06 156.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.7 -0.682 . . . . 10.0 112.64 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -87.53 109.89 19.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.611 ' HB2' ' CD2' ' B' ' 14' ' ' HIS . 51.9 m170 -98.27 93.27 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 28.6 tt0 -106.87 126.77 52.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.861 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -136.23 123.23 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.91 116.79 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 HG13 ' B' ' 18' ' ' VAL . 1.3 m -129.46 127.68 65.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.33 0.586 . . . . 10.0 112.169 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -112.14 100.54 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.33 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.84 97.68 11.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.582 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.57 131.78 47.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.083 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.971 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.4 mm-40 -88.65 153.56 21.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.998 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -128.8 94.48 3.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.608 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 21.4 t -128.33 -41.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.789 0.328 . . . . 10.0 111.068 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -96.62 -159.01 31.69 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.202 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -63.35 120.51 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.389 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.78 148.18 25.8 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.677 0.992 . . . . 10.0 113.677 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -160.78 166.82 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.169 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' B' ' 29' ' ' GLY . . . -101.48 155.92 18.95 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.241 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.1 137.67 46.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD13 ' B' ' 31' ' ' ILE . 21.5 mm -92.41 93.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.083 0.468 . . . . 10.0 110.253 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.868 HG22 ' HB ' ' B' ' 32' ' ' ILE . 7.8 pt -120.53 145.98 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.726 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA3' HG11 ' I' ' 39' ' ' VAL . . . -131.97 116.35 1.84 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.545 -0.622 . . . . 10.0 111.545 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' B' ' 34' ' ' LEU . 52.0 mt -100.01 94.11 6.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 10.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -107.23 23.29 14.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.474 0.654 . . . . 10.0 109.675 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' B' ' 36' ' ' VAL . 16.5 m -69.79 139.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 10.0 111.653 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -172.39 161.27 32.87 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.424 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.67 126.24 1.96 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG13 HG23 ' B' ' 39' ' ' VAL . 3.7 p -122.71 123.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.056 0.455 . . . . 10.0 111.02 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.31 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.471 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 10.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.046 0.451 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.864 ' HB ' HG12 ' C' ' 12' ' ' VAL . 4.0 t -106.91 90.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -72.4 116.77 13.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.463 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.611 ' CD2' ' HB2' ' A' ' 14' ' ' HIS . 21.2 m170 -112.38 92.88 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.2 tt0 -113.78 109.03 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.983 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.59 122.74 38.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 10.0 111.839 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.06 105.53 13.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.973 -1.012 . . . . 10.0 109.107 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 18' ' ' VAL . 10.5 t -111.37 120.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.6 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.14 121.53 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.07 119.66 40.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.374 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.67 100.07 5.18 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.971 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 30.5 mt-10 -98.09 92.84 5.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' B' ' 27' ' ' ASN . 1.5 m-20 -83.17 83.87 7.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.033 0.444 . . . . 10.0 110.625 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 61.2 t -89.06 -25.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.027 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.26 -64.59 1.39 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.118 -1.039 . . . . 10.0 111.118 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.479 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 96.3 p -162.69 121.7 2.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.618 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 9.1 m120 -60.88 146.83 45.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.596 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' C' ' 28' ' ' LYS . 19.9 tptt -144.74 -36.25 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 29' ' ' GLY . . . 94.09 136.8 8.31 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.526 -0.845 . . . . 10.0 111.877 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 162.03 13.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.676 0.274 . . . . 10.0 111.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.47 HD13 ' HB ' ' A' ' 31' ' ' ILE . 22.7 mm -101.24 92.81 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.892 -1.151 . . . . 10.0 107.892 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.868 ' HB ' HG22 ' A' ' 32' ' ' ILE . 39.7 mt -116.31 126.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.368 0.604 . . . . 10.0 111.978 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.32 123.24 5.59 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.465 -0.788 . . . . 10.0 111.564 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.496 HD23 HD23 ' A' ' 34' ' ' LEU . 3.2 mm? -107.72 100.92 10.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -110.21 32.39 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 10.0 110.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HB ' HG12 ' A' ' 36' ' ' VAL . 24.0 t -72.79 101.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.787 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -133.68 143.73 15.49 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.315 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.43 146.49 17.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.027 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 39' ' ' VAL . 11.5 p -134.03 134.52 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.969 0.414 . . . . 10.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.701 HG22 ' HB ' ' C' ' 40' ' ' VAL . 79.6 t -133.9 133.23 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.879 ' HB ' HG21 ' J' ' 31' ' ' ILE . 16.4 tt -67.83 129.34 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.957 0.408 . . . . 10.0 111.1 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.882 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.71 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.305 0.574 . . . . 10.0 111.258 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.864 HG12 ' HB ' ' B' ' 12' ' ' VAL . 2.8 m -107.54 110.77 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.125 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -77.58 99.55 5.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.525 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 24.2 m170 -91.66 107.52 19.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.325 0.584 . . . . 10.0 111.617 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.52 95.45 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.265 -0.879 . . . . 10.0 109.033 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.509 ' HD3' ' HD2' ' D' ' 16' ' ' LYS . 87.9 tttt -108.4 121.96 46.03 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.47 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' D' ' 17' ' ' LEU . 1.4 mt -120.25 114.25 21.62 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 7.2 p -133.13 126.96 54.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.598 0.713 . . . . 10.0 112.283 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.954 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.39 110.9 22.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.97 103.73 10.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -108.48 112.52 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.482 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.762 ' HB2' HD21 ' D' ' 27' ' ' ASN . 0.4 OUTLIER -104.18 130.16 51.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.572 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.5 m -134.31 18.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 10.0 109.563 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.38 -66.15 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.338 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -170.62 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.086 0.554 . . . . 10.0 109.719 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.554 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 60.6 t30 -58.18 144.31 41.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.121 0.486 . . . . 10.0 112.145 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.688 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 56.0 tttp -132.09 -13.63 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.92 148.8 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.495 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.404 ' HB2' ' HA2' ' D' ' 29' ' ' GLY . . . -129.26 166.24 19.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.775 HD12 HG22 ' K' ' 39' ' ' VAL . 1.5 pt -100.89 121.16 51.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.517 0.675 . . . . 10.0 110.694 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.4 mt -129.98 111.64 21.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.822 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.64 117.66 4.54 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.625 -0.797 . . . . 10.0 111.713 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 6.6 mp -104.78 87.07 2.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.954 0.407 . . . . 10.0 110.494 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' D' ' 35' ' ' MET . 0.8 OUTLIER -95.15 50.96 1.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.995 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 22.1 t -83.58 108.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.082 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -126.53 142.53 13.65 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.863 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.65 152.34 19.25 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.793 HG21 ' HA3' ' K' ' 33' ' ' GLY . 1.1 t -143.2 132.93 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.877 0.37 . . . . 10.0 111.262 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.701 ' HB ' HG22 ' B' ' 40' ' ' VAL . 68.9 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.81 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.71 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.2 p -131.86 164.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.425 ' H ' HG22 ' D' ' 12' ' ' VAL . 3.6 t60 -88.37 133.24 34.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 10.0 111.68 -178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 10.1 m80 -129.21 89.53 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.675 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -120.55 135.7 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.696 0.628 . . . . 10.0 112.696 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.509 ' HD2' ' HD3' ' C' ' 16' ' ' LYS . 37.1 ttpt -136.34 124.11 22.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.766 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' C' ' 17' ' ' LEU . 7.0 mp -110.64 114.25 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.238 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.792 ' HB ' HG12 ' E' ' 18' ' ' VAL . 18.1 t -119.56 116.54 51.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.478 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -115.13 124.77 52.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.677 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -107.36 121.28 44.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.58 99.09 5.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -104.92 93.38 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.79 115.86 24.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.482 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.492 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.1 t -110.16 -29.82 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.802 0.334 . . . . 10.0 111.491 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.95 -80.95 1.35 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.257 -0.973 . . . . 10.0 112.81 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -149.86 115.15 5.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.762 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -64.4 150.97 45.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.662 ' HA ' ' HD3' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -138.2 -40.32 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.685 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' C' ' 30' ' ' ALA . . . 111.63 114.31 3.41 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.29 -0.957 . . . . 10.0 114.203 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.582 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -98.71 172.39 7.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 1.04 HD11 HG23 ' E' ' 31' ' ' ILE . 4.7 pt -113.48 115.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.761 0.791 . . . . 10.0 111.065 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.422 HG12 HD11 ' E' ' 32' ' ' ILE . 27.2 mt -116.89 117.64 56.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.222 -0.899 . . . . 10.0 110.018 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.758 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -112.72 112.5 3.0 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.056 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.4 mm? -100.16 74.1 1.75 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 10.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.716 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 9.3 mtm -89.23 69.12 8.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 34.9 t -100.1 125.37 53.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.996 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -141.37 155.48 25.21 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.645 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' E' ' 38' ' ' GLY . . . -161.39 132.96 3.0 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.655 -0.783 . . . . 10.0 111.844 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 1.002 HG23 HD11 ' M' ' 31' ' ' ILE . 6.3 m -134.99 149.92 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.572 0.225 . . . . 10.0 111.372 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.611 HG23 ' HB ' ' E' ' 40' ' ' VAL . 12.1 p -149.89 142.35 17.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.195 0.521 . . . . 10.0 111.475 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.404 HD12 ' O ' ' M' ' 29' ' ' GLY . 6.7 tt -72.02 138.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.843 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.299 179.517 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' F' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.614 0.721 . . . . 10.0 110.539 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -90.29 157.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.897 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.92 97.48 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.86 111.52 22.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.061 0.458 . . . . 10.0 110.543 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -124.68 103.83 8.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.997 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -114.31 121.36 43.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.53 HD13 HD23 ' E' ' 34' ' ' LEU . 25.1 mt -119.87 113.61 20.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.4 OUTLIER -126.53 125.59 67.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -178.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -121.28 118.4 29.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.407 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -107.83 112.73 25.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.69 0.281 . . . . 10.0 110.883 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -125.78 110.73 14.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.34 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -118.66 133.49 55.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.895 0.378 . . . . 10.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.457 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.3 OUTLIER -114.25 146.9 39.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.605 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.425 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.4 t -137.69 6.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.637 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.52 -68.93 0.07 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.482 -0.866 . . . . 10.0 113.251 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -163.41 115.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.178 0.489 . . . . 10.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.52 159.58 34.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.54 0.686 . . . . 10.0 112.039 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -136.09 -116.76 0.17 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.335 178.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -153.87 93.39 0.14 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.15 -1.024 . . . . 10.0 113.015 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -73.99 149.08 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 1.04 HG23 HD11 ' D' ' 31' ' ' ILE . 9.8 mt -111.7 90.32 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.422 HD11 HG12 ' D' ' 32' ' ' ILE . 11.3 pt -112.61 114.73 47.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 10.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.411 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -117.7 109.58 1.87 Allowed Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.484 -0.865 . . . . 10.0 113.168 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.767 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 6.8 mp -93.82 82.91 4.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ptp -97.7 75.17 2.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.537 0.684 . . . . 10.0 110.646 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' F' ' 36' ' ' VAL . 27.2 m -106.78 136.52 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.991 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.896 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -150.78 140.55 7.99 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.155 -1.022 . . . . 10.0 113.033 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.402 ' O ' ' HA2' ' D' ' 38' ' ' GLY . . . -127.01 141.19 12.44 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 1.075 HG21 ' HA3' ' M' ' 33' ' ' GLY . 39.4 t -131.5 123.68 53.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.949 0.404 . . . . 10.0 111.621 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' D' ' 40' ' ' VAL . 95.2 t . . . . . 0 C--O 1.237 0.417 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.911 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.067 0.461 . . . . 10.0 110.246 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.766 ' HB ' HG12 ' G' ' 12' ' ' VAL . 8.8 t -76.0 109.1 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' F' ' 15' ' ' GLN . 7.9 t60 -88.49 118.69 28.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.57 0.224 . . . . 10.0 110.73 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -111.14 86.57 2.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.148 0.499 . . . . 10.0 110.143 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' F' ' 13' ' ' HIS . 4.6 tt0 -103.61 114.72 29.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.385 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' HG2' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -136.86 120.79 17.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.367 0.603 . . . . 10.0 112.304 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.8 mp -115.82 119.12 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.628 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.79 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.5 t -121.39 121.39 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.391 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.4 127.35 53.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.06 122.23 46.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' E' ' 21' ' ' ALA . . . -131.83 95.39 3.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.659 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -108.37 101.86 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.377 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.538 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 72.6 m-20 -102.55 111.39 23.68 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.5 HG22 ' O ' ' G' ' 23' ' ' ASP . 17.0 m -102.51 -1.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.69 -87.94 1.62 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.174 -1.013 . . . . 10.0 112.861 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.42 101.52 5.19 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 0.9 OUTLIER -62.85 147.01 51.38 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.2 0.524 . . . . 10.0 111.757 -178.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -131.95 -57.78 0.97 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 118.72 120.58 2.96 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.156 -1.021 . . . . 10.0 112.857 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -92.58 156.73 16.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.612 ' CD1' ' HB ' ' N' ' 39' ' ' VAL . 19.5 tt -105.08 106.11 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.843 0.83 . . . . 10.0 110.848 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.448 HG12 HD12 ' G' ' 32' ' ' ILE . 44.0 mt -115.2 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.595 -1.184 . . . . 10.0 110.714 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.24 112.11 4.03 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.8 mm? -91.69 72.74 5.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.664 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.5 mpt? -86.99 66.93 9.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.665 ' HB ' HG12 ' E' ' 36' ' ' VAL . 24.7 t -101.84 123.06 54.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.201 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -134.26 156.05 22.19 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.604 -0.808 . . . . 10.0 112.886 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.62 145.55 15.41 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.803 -0.519 . . . . 10.0 111.803 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.976 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.0 t -144.87 138.39 22.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 10.0 111.178 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.599 HG23 HG13 ' G' ' 40' ' ' VAL . 9.8 p -155.94 167.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.423 ' H ' HG22 ' F' ' 40' ' ' VAL . 3.6 pt -101.72 172.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.608 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.838 ' HA ' HG11 ' H' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 121.064 0.459 . . . . 10.0 110.289 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' F' ' 12' ' ' VAL . 5.8 m -117.81 126.54 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.17 104.8 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.817 -1.179 . . . . 10.0 107.817 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -93.09 119.91 32.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -122.94 89.29 3.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HG3' ' F' ' 16' ' ' LYS . 0.2 OUTLIER -106.01 112.43 25.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.562 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.583 ' HB2' ' HG ' ' F' ' 17' ' ' LEU . 56.0 mt -118.75 117.92 30.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.79 HG12 ' HB ' ' F' ' 18' ' ' VAL . 1.6 m -129.73 129.49 66.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.305 0.574 . . . . 10.0 112.044 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -125.13 119.49 28.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.844 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -101.8 116.39 32.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.74 112.95 12.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.036 0.446 . . . . 10.0 109.93 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.704 ' HG2' ' HB3' ' H' ' 22' ' ' GLU . 4.6 pt-20 -126.91 134.12 50.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.017 0.437 . . . . 10.0 111.648 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.585 ' HA ' ' OD1' ' H' ' 23' ' ' ASP . 0.1 OUTLIER -104.3 146.11 29.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.54 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 79.2 t -127.69 -20.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.178 0.514 . . . . 10.0 110.787 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -121.14 -65.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.58 -0.819 . . . . 10.0 113.134 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -153.1 110.68 3.55 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.565 -0.374 . . . . 10.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.639 ' HA ' ' CB ' ' H' ' 27' ' ' ASN . 23.9 t-20 -64.77 152.21 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.535 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' H' ' 28' ' ' LYS . 59.2 tttp -131.65 -50.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.465 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 113.18 122.45 3.92 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.162 -1.018 . . . . 10.0 112.722 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.775 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -93.36 166.91 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.768 0.318 . . . . 10.0 111.022 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' O' ' 39' ' ' VAL . 0.0 OUTLIER -106.39 90.22 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 179.156 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.448 HD12 HG12 ' F' ' 32' ' ' ILE . 13.3 mt -107.73 116.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.189 0.518 . . . . 10.0 111.396 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 102.63 1.09 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.708 -0.758 . . . . 10.0 111.591 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.787 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 5.6 mp -89.36 68.58 7.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.949 0.404 . . . . 10.0 110.758 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.474 ' HA ' ' HB2' ' F' ' 35' ' ' MET . 6.0 ptp -81.17 80.07 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.844 0.831 . . . . 10.0 110.208 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' H' ' 36' ' ' VAL . 42.0 t -105.23 111.64 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.413 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.89 118.63 3.51 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.636 -0.792 . . . . 10.0 111.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 121.09 3.97 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.701 -0.761 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.976 HG12 ' HB ' ' F' ' 39' ' ' VAL . 35.9 m -124.76 155.0 32.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.264 0.554 . . . . 10.0 111.68 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' F' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.565 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.838 HG11 ' HA ' ' G' ' 11' ' ' GLU . 2.9 m -64.19 136.9 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.877 0.37 . . . . 10.0 110.837 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.26 123.5 18.36 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.882 1.067 . . . . 10.0 113.882 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -121.13 98.95 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.141 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.36 143.68 33.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.939 0.399 . . . . 10.0 111.091 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -152.89 116.37 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.628 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.64 119.09 33.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.696 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.32 117.69 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -118.11 144.79 45.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 10.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -125.26 120.96 32.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.623 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.7 81.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.719 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.704 ' HB3' ' HG2' ' G' ' 22' ' ' GLU . 0.0 OUTLIER -109.84 151.26 27.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.197 -179.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.585 ' OD1' ' HA ' ' G' ' 23' ' ' ASP . 0.6 OUTLIER -135.64 155.86 49.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.103 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 21.7 t -120.47 -33.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.337 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -93.78 -75.91 1.31 Allowed Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.497 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -136.29 133.56 37.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.639 ' CB ' ' HA ' ' G' ' 27' ' ' ASN . 9.1 t-20 -74.58 147.94 41.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' G' ' 28' ' ' LYS . 21.5 mtpt -130.89 -172.3 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.132 0.492 . . . . 10.0 111.64 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.775 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -108.19 92.6 0.75 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.459 -0.792 . . . . 10.0 112.358 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.14 139.31 42.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.452 HG12 HD12 ' G' ' 31' ' ' ILE . 4.2 mt -98.05 107.61 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -125.44 113.04 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 10.0 111.469 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.01 99.33 1.51 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.286 -0.726 . . . . 10.0 111.286 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.787 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.6 mm? -84.08 69.98 10.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 10.0 111.493 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.441 ' HE3' ' HG3' ' G' ' 35' ' ' MET . 4.5 tpt -79.34 87.05 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.826 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' G' ' 36' ' ' VAL . 38.7 t -109.65 112.86 42.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.408 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.876 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -121.79 126.2 6.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 10.0 111.459 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.46 138.7 10.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.047 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 m -135.35 155.44 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.581 0.229 . . . . 10.0 110.478 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.59 HG13 ' HB ' ' G' ' 40' ' ' VAL . 2.9 p -167.54 140.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.962 -0.385 . . . . 10.0 109.962 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.55 133.34 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.152 -0.314 . . . . 10.0 110.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.479 -0.772 . . . . 10.0 110.039 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.551 ' HA ' HG22 ' J' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.954 0.407 . . . . 10.0 110.689 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.81 156.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -79.94 107.25 12.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.285 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' J' ' 14' ' ' HIS . 35.5 m170 -96.72 91.45 5.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.344 0.592 . . . . 10.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -106.86 123.45 48.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.392 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -130.41 127.82 40.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.29 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' J' ' 17' ' ' LEU . 3.3 mp -126.22 121.23 32.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -143.48 128.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.355 0.598 . . . . 10.0 112.229 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.71 107.16 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.361 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -89.98 86.82 6.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 116.41 29.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.949 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 47.4 mm-40 -81.43 157.13 25.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.2 0.524 . . . . 10.0 111.476 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.06 107.28 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.926 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 13.0 t -136.77 -33.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.775 -0.37 . . . . 10.0 111.477 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -108.98 -151.86 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.453 -0.879 . . . . 10.0 113.12 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.8 OUTLIER -64.66 121.61 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 146.62 54.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.761 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.2 mtpt -156.16 -179.06 7.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.199 -0.91 . . . . 10.0 109.09 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.09 141.26 16.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.159 -1.02 . . . . 10.0 113.08 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.43 130.77 42.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.762 0.315 . . . . 10.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' J' ' 31' ' ' ILE . 12.8 mt -89.77 97.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' J' ' 32' ' ' ILE . 10.2 mt -117.35 136.05 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.432 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG11 ' A' ' 39' ' ' VAL . . . -115.99 115.02 3.25 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.461 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.49 88.63 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 10.0 111.845 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.47 12.53 37.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.627 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' J' ' 36' ' ' VAL . 12.5 m -63.39 145.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.427 -0.806 . . . . 10.0 111.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 173.66 -163.41 34.63 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.927 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.52 160.45 21.96 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.814 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.673 HG13 HG23 ' J' ' 39' ' ' VAL . 2.7 p -145.12 120.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.404 0.621 . . . . 10.0 111.153 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' J' ' 40' ' ' VAL . 10.7 t -127.01 157.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 pt -65.21 112.06 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 10.0 111.309 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.595 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.829 0.347 . . . . 10.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' K' ' 12' ' ' VAL . 18.8 t -93.27 93.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.05 117.96 16.45 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.881 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' I' ' 14' ' ' HIS . 2.7 m170 -110.71 98.29 7.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.894 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HG2' HD11 ' J' ' 17' ' ' LEU . 5.0 tt0 -113.72 106.35 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.482 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -115.02 109.06 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.79 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.2 mp -107.73 99.91 9.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.764 ' HB ' HG12 ' K' ' 18' ' ' VAL . 14.0 t -112.73 119.87 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.09 0.471 . . . . 10.0 110.838 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -110.51 126.02 53.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.998 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -140.94 99.83 3.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.949 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 5.2 pt-20 -102.47 90.9 4.02 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.694 0.627 . . . . 10.0 112.694 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 1.0 OUTLIER -76.19 84.12 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.046 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 31.9 t -86.56 -15.18 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.254 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -67.52 0.88 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.171 -1.014 . . . . 10.0 110.965 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 73.8 m -157.07 118.43 3.71 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' I' ' 26' ' ' SER . 9.6 m120 -62.92 146.5 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.237 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.761 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 2.1 ttmt -144.88 -28.72 0.47 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.619 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.78 125.78 3.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.354 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.55 156.19 17.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.879 HG21 ' HB ' ' B' ' 41' ' ' ILE . 2.4 tp -102.62 92.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.708 0.766 . . . . 10.0 109.533 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' I' ' 32' ' ' ILE . 11.5 mm -106.58 131.91 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.433 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' B' ' 39' ' ' VAL . . . -123.97 116.15 2.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.862 -0.895 . . . . 10.0 110.862 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 mt -111.48 106.68 15.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.866 0.333 . . . . 10.0 111.141 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.93 43.19 2.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.453 0.644 . . . . 10.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 46.5 t -79.27 110.97 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.345 -0.843 . . . . 10.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.68 142.95 11.13 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.684 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.64 148.57 19.69 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.97 -0.633 . . . . 10.0 111.72 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' K' ' 39' ' ' VAL . 4.5 p -131.76 130.91 62.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.965 0.412 . . . . 10.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.799 ' HB ' HG13 ' I' ' 40' ' ' VAL . 54.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.286 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.542 ' HB3' ' HB ' ' L' ' 12' ' ' VAL . 49.5 mm-40 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' J' ' 12' ' ' VAL . 3.1 m -128.35 103.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -74.16 100.85 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 6.2 m170 -93.31 106.55 18.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.95 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.72 100.39 6.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.526 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 82.3 tttt -110.71 129.97 55.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.338 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' L' ' 17' ' ' LEU . 1.4 mt -128.89 110.24 11.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.764 HG12 ' HB ' ' J' ' 18' ' ' VAL . 2.7 m -125.71 129.44 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.309 0.576 . . . . 10.0 112.073 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.83 121.0 35.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.04 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -108.48 101.34 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' J' ' 21' ' ' ALA . . . -106.84 112.32 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 68.6 mt-10 -113.49 115.85 28.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.521 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.1 t70 -100.68 124.48 46.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.921 0.391 . . . . 10.0 110.185 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.93 5.24 5.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.004 0.431 . . . . 10.0 110.077 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.94 -67.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.569 -0.824 . . . . 10.0 113.242 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -163.26 94.02 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.5 t30 -64.2 145.76 55.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 10.0 111.548 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 44.5 tttm -130.31 -10.35 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 140.14 7.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.52 156.58 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.743 HG23 ' HB ' ' L' ' 31' ' ' ILE . 0.2 OUTLIER -100.37 113.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.493 0.663 . . . . 10.0 111.702 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 66.7 mt -124.8 123.14 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.547 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . 0.793 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -121.06 127.83 7.14 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.632 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.612 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 10.4 mp -108.08 93.9 4.78 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.526 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 1.8 mpt? -96.76 48.49 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.169 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' L' ' 36' ' ' VAL . 17.0 t -83.66 106.14 13.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.411 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -131.25 148.17 18.81 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.338 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.37 154.28 25.86 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.775 HG22 HD12 ' C' ' 31' ' ' ILE . 7.5 p -139.59 127.08 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.867 0.365 . . . . 10.0 110.516 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' L' ' 40' ' ' VAL . 46.4 t -127.27 143.24 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.819 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' C' ' 31' ' ' ILE . 16.3 tt -66.89 142.09 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.86 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.729 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . 0.987 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 49.9 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.243 0.068 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.614 HG22 ' H ' ' L' ' 13' ' ' HIS . 3.6 p -147.44 172.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 10.0 112.181 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.614 ' H ' HG22 ' L' ' 12' ' ' VAL . 2.8 t60 -92.66 136.81 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.143 0.497 . . . . 10.0 112.112 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . 0.532 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 15.3 m80 -130.23 88.55 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . 0.559 HE22 HG11 ' L' ' 36' ' ' VAL . 39.8 tt0 -113.2 129.39 56.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 36.5 ttpt -137.82 121.4 17.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' K' ' 17' ' ' LEU . 6.8 mp -112.33 119.65 39.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.614 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' M' ' 18' ' ' VAL . 14.7 t -124.08 115.24 44.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.349 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -116.19 127.29 54.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 25.8 m-85 -109.71 129.17 55.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.192 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 90.84 2.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.85 91.16 4.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.386 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.585 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 1.3 m-20 -90.2 90.88 8.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.394 0.616 . . . . 10.0 110.89 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 59.4 t -80.35 -19.79 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.788 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.07 -139.15 9.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.181 -1.009 . . . . 10.0 112.146 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 120.78 26.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.594 ' N ' HD22 ' L' ' 27' ' ' ASN . 0.6 OUTLIER -78.44 152.48 32.12 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 -179.237 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' M' ' 28' ' ' LYS . 0.9 OUTLIER -138.03 -32.64 0.73 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.932 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.65 114.98 3.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.263 -0.97 . . . . 10.0 114.583 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.604 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -97.3 177.64 5.49 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.911 HD11 ' HB ' ' D' ' 39' ' ' VAL . 2.3 tt -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 10.0 112.279 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.44 122.14 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.432 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -110.73 107.92 2.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.561 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.6 mm? -95.22 75.04 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.745 0.307 . . . . 10.0 110.792 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.996 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.2 mpp? -89.11 75.14 7.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.37 0.605 . . . . 10.0 110.387 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' K' ' 36' ' ' VAL . 20.1 t -106.62 130.31 58.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.331 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.716 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -144.49 165.79 27.43 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.086 -1.054 . . . . 10.0 112.858 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.16 137.25 4.56 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 1.008 HG13 HG12 ' M' ' 39' ' ' VAL . 0.4 OUTLIER -137.16 138.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.234 0.517 . . . . 10.0 112.246 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 70.7 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.438 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . 0.987 ' HB2' ' HG3' ' L' ' 11' ' ' GLU . 37.7 mm-40 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.615 0.721 . . . . 10.0 110.118 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.417 HG12 ' H ' ' L' ' 12' ' ' VAL . 28.5 m -107.88 143.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.162 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.09 102.06 12.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.48 114.48 26.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.563 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -124.09 105.37 9.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.074 0.464 . . . . 10.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.48 120.58 41.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.88 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.421 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 22.8 mt -121.2 110.88 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.4 m -125.38 126.15 70.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -122.95 120.18 32.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.5 -0.773 . . . . 10.0 108.929 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 71.4 m-85 -109.98 108.35 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.62 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.72 119.22 37.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.33 119.2 31.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.69 133.9 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.525 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.4 t -127.41 16.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -145.97 -72.08 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.167 -1.016 . . . . 10.0 113.531 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -157.59 99.79 1.75 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.637 -0.331 . . . . 10.0 111.576 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . 0.422 HD22 ' CG ' ' L' ' 23' ' ' ASP . 28.0 t-20 -69.32 149.66 48.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.523 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 4.5 mttp -121.13 -91.09 0.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.604 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . -169.05 71.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.668 -1.253 . . . . 10.0 113.788 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HB1' ' L' ' 30' ' ' ALA . . . -72.48 122.79 21.88 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 1.002 HD11 HG23 ' D' ' 39' ' ' VAL . 13.6 tt -97.47 119.75 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 121.61 0.719 . . . . 10.0 112.644 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.819 HG22 ' HB ' ' N' ' 32' ' ' ILE . 7.0 pt -120.23 130.54 74.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.966 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 1.075 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -122.43 125.6 6.1 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.496 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.6 mp -108.58 82.76 1.66 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.125 0.488 . . . . 10.0 110.352 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.896 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 5.4 mpp? -91.3 91.82 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.912 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.486 HG13 HG13 ' L' ' 36' ' ' VAL . 1.5 p -128.58 125.94 64.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.87 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' L' ' 37' ' ' GLY . . . -149.94 173.57 29.62 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.813 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.82 147.1 9.17 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.16 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 1.008 HG12 HG13 ' L' ' 39' ' ' VAL . 35.7 m -128.15 133.03 67.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' N' ' 40' ' ' VAL . 25.4 m -146.24 166.68 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 10.0 111.656 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.479 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.6 mm -142.54 126.51 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.107 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' O' ' 12' ' ' VAL . 10.3 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.488 0.661 . . . . 10.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.409 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.0 OUTLIER -72.95 138.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.334 -0.848 . . . . 10.0 111.696 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 126.78 30.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.814 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -117.82 97.89 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.303 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -100.45 125.31 46.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.353 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -128.89 98.69 5.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.458 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.7 mp -105.5 114.55 28.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.725 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 5.4 t -119.35 117.39 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.245 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.99 121.2 37.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.555 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.84 130.57 54.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.97 96.05 3.33 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -107.07 99.08 8.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.315 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.679 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 11.2 m-20 -99.17 101.96 13.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.153 0.501 . . . . 10.0 110.797 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.41 -22.75 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.077 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -98.36 -83.7 1.73 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.372 -0.918 . . . . 10.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -161.03 124.35 3.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.559 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 30.0 p30 -95.9 155.28 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.103 0.477 . . . . 10.0 111.561 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' O' ' 28' ' ' LYS . 99.0 mttt -112.16 -88.92 0.52 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.537 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -153.1 79.68 0.19 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.968 -1.111 . . . . 10.0 113.275 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.23 118.45 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.847 -0.798 . . . . 10.0 108.847 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.846 HG12 HG23 ' M' ' 31' ' ' ILE . 0.2 OUTLIER -96.31 113.23 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.941 0.877 . . . . 10.0 112.41 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.819 ' HB ' HG22 ' M' ' 32' ' ' ILE . 74.6 mt -110.3 106.97 21.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.89 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -104.01 118.62 6.04 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.558 -0.83 . . . . 10.0 112.911 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' M' ' 34' ' ' LEU . 75.7 mt -106.17 115.55 30.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.72 -0.845 . . . . 10.0 108.72 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.49 ' O ' ' HA ' ' O' ' 35' ' ' MET . 7.2 mtm -127.18 96.26 4.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 2.2 p -130.47 128.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.256 0.55 . . . . 10.0 111.889 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.664 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -140.84 138.95 9.26 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.414 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.13 154.17 20.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.612 ' HB ' ' CD1' ' F' ' 31' ' ' ILE . 15.4 m -137.61 134.26 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.808 0.337 . . . . 10.0 111.675 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.732 ' HB ' HG12 ' M' ' 40' ' ' VAL . 54.2 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.762 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.576 ' HA ' ' HG2' ' P' ' 11' ' ' GLU . 49.3 mt-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.2 0.524 . . . . 10.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' N' ' 11' ' ' GLU . 19.1 m -91.96 -173.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -114.69 104.92 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.014 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -91.22 107.87 19.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -116.71 99.83 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -111.04 113.32 25.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.437 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.603 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.5 mm? -113.59 112.75 24.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 5.1 p -133.54 123.44 46.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.448 0.642 . . . . 10.0 112.471 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -120.8 128.25 52.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.531 -0.758 . . . . 10.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -106.47 110.85 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.0 110.95 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -118.54 125.9 50.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.961 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 0.8 OUTLIER -110.35 145.42 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.021 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.499 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 3.1 t -133.59 7.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.202 0.525 . . . . 10.0 109.823 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.76 -80.23 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.123 -1.036 . . . . 10.0 113.26 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.73 99.26 3.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.751 0.276 . . . . 10.0 111.07 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.911 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 47.7 t30 -88.55 107.65 19.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 10.0 111.16 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.592 ' HA ' ' HD2' ' N' ' 28' ' ' LYS . 2.4 tttm -78.36 -33.73 48.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.31 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 125.34 5.61 Favored Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.57 -0.741 . . . . 10.0 113.526 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.582 ' HB2' ' HA3' ' P' ' 29' ' ' GLY . . . -97.79 157.27 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.525 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -104.37 125.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.285 0.564 . . . . 10.0 110.029 178.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.82 124.21 71.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.099 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.413 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -113.26 104.71 1.56 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.788 -0.72 . . . . 10.0 111.959 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.91 85.55 2.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.848 0.356 . . . . 10.0 110.226 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.543 ' O ' ' HA ' ' P' ' 35' ' ' MET . 0.0 OUTLIER -102.24 95.58 6.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.294 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' N' ' 36' ' ' VAL . 25.6 m -126.03 166.61 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.265 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.18 -171.07 43.35 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.696 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.86 158.66 21.76 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.081 -1.056 . . . . 10.0 113.173 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 31' ' ' ILE . 2.7 m -119.37 150.84 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.706 HG13 HG22 ' N' ' 40' ' ' VAL . 2.3 p -163.74 136.09 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.892 0.377 . . . . 10.0 111.251 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.07 101.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.416 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . 0.576 ' HG2' ' HA ' ' O' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.054 0.454 . . . . 10.0 110.558 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.21 120.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.148 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -85.99 124.78 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.9 0.381 . . . . 10.0 110.837 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -114.04 96.67 5.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.518 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -110.74 114.03 27.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.887 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -130.35 115.91 17.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 10.0 111.179 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.415 ' HB2' HD12 ' O' ' 17' ' ' LEU . 7.7 mp -111.14 100.5 9.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.081 -0.508 . . . . 10.0 109.723 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 t -110.22 116.33 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.325 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -121.92 142.76 49.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.765 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.83 116.47 27.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.862 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.82 77.71 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.509 . . . . 10.0 110.495 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.0 133.21 53.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.142 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' P' ' 27' ' ' ASN . 2.3 t0 -137.3 143.11 41.95 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.762 -0.459 . . . . 10.0 109.762 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 28.4 m -106.52 8.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.236 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.21 0.97 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.506 -0.854 . . . . 10.0 111.56 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -107.77 98.48 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.938 0.399 . . . . 10.0 110.191 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.911 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -75.7 72.09 2.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.524 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' O' ' 28' ' ' LYS . 13.8 mmmm -63.33 -52.14 63.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.03 0.443 . . . . 10.0 110.498 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' O' ' 30' ' ' ALA . . . 82.49 147.21 6.48 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.542 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.62 -161.58 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' G' ' 40' ' ' VAL . 1.7 tt -114.44 120.2 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.054 0.454 . . . . 10.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.48 126.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.83 115.05 3.6 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.161 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.21 85.31 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.793 0.33 . . . . 10.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.876 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 0.0 OUTLIER -100.49 96.45 7.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.92 106.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 10.0 111.177 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.426 ' HA3' ' SD ' ' G' ' 35' ' ' MET . . . -124.12 169.95 16.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.008 -0.615 . . . . 10.0 111.576 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.15 159.42 29.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' O' ' 39' ' ' VAL . 19.4 m -126.83 133.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 10.0 110.604 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' O' ' 40' ' ' VAL . 90.4 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' HG22 ' B' ' 12' ' ' VAL . 3.2 mm-40 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.03 -0.359 . . . . 10.0 110.03 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 t -110.75 154.93 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 10.0 112.431 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.45 100.58 12.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.182 -0.917 . . . . 10.0 108.791 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -89.4 98.44 11.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 36.5 tt0 -118.22 117.53 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.479 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.72 111.35 14.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.039 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -111.08 108.96 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -124.46 134.36 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.451 0.643 . . . . 10.0 112.614 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.78 108.21 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.633 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.53 114.41 26.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.93 112.7 19.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.328 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 76.2 mm-40 -82.35 151.68 26.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.959 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.91 102.67 5.72 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.365 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 17.1 t -125.05 -27.15 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 10.0 110.59 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.14 -150.51 15.34 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.829 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -68.01 126.06 28.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.768 0.284 . . . . 10.0 110.266 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -66.19 157.1 32.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.396 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 2.0 mttm -165.54 -153.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.284 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.17 136.58 7.35 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.151 -1.023 . . . . 10.0 113.212 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -94.61 153.43 17.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 10.0 110.426 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 mm -100.24 86.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.677 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB ' ' B' ' 32' ' ' ILE . 9.6 pt -113.22 129.63 68.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 10.0 112.079 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.99 121.0 4.15 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.489 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' B' ' 34' ' ' LEU . 43.4 mt -102.5 110.46 22.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.633 0.254 . . . . 10.0 111.061 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -119.7 24.01 10.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.315 0.579 . . . . 10.0 109.65 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' B' ' 36' ' ' VAL . 9.7 t -69.93 126.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.262 -0.881 . . . . 10.0 110.548 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -163.38 147.85 13.86 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.276 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 139.74 9.64 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.659 HG13 HG23 ' B' ' 39' ' ' VAL . 5.4 p -136.73 126.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.529 . . . . 10.0 110.977 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.221 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 121.342 0.591 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -99.11 90.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.483 -0.932 . . . . 10.0 108.483 179.004 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.517 ' HA ' ' HB3' ' C' ' 13' ' ' HIS . 7.3 t60 -74.2 107.51 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.877 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.475 ' HB2' ' HD2' ' C' ' 14' ' ' HIS . 50.1 m-70 -104.68 95.12 5.68 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 5.0 tt0 -113.55 102.23 10.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.341 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 17.0 ptmt -114.97 121.23 42.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.277 0.56 . . . . 10.0 111.503 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.655 HD13 ' HG ' ' A' ' 17' ' ' LEU . 3.5 mp -114.48 108.25 16.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.077 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.457 HG13 HG23 ' A' ' 18' ' ' VAL . 5.1 t -115.83 118.93 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.697 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.33 124.46 50.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.284 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -110.47 120.18 41.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 99.96 5.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.815 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 44.6 mt-10 -101.23 86.07 2.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.861 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' C' ' 23' ' ' ASP . 1.5 m-20 -78.98 89.29 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.949 0.404 . . . . 10.0 110.606 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 26.0 t -91.54 -15.93 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.32 -60.35 0.86 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.504 -0.855 . . . . 10.0 111.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -167.52 120.44 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.59 -0.305 . . . . 10.0 110.422 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.457 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 8.6 m120 -65.28 150.0 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.68 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 4.3 tppt? -141.24 -91.96 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.16 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 169.9 99.84 0.13 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.795 -1.193 . . . . 10.0 113.017 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.46 149.47 21.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.885 HD12 HG22 ' J' ' 39' ' ' VAL . 1.0 OUTLIER -99.26 121.01 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.62 0.724 . . . . 10.0 110.426 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.727 ' HB ' HG22 ' A' ' 32' ' ' ILE . 53.5 mt -130.73 122.36 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.047 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.04 122.06 5.43 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.927 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.409 HD23 HD23 ' A' ' 34' ' ' LEU . 3.4 mm? -104.18 85.71 2.43 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.14 45.27 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.683 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.693 ' HB ' HG13 ' A' ' 36' ' ' VAL . 8.2 t -83.42 104.63 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.368 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 37' ' ' GLY . . . -127.83 134.07 8.08 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.781 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.06 130.53 6.28 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.571 -0.612 . . . . 10.0 111.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.991 HG22 HD11 ' J' ' 31' ' ' ILE . 1.9 p -128.01 133.62 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.065 0.459 . . . . 10.0 111.083 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.626 HG22 ' HB ' ' C' ' 40' ' ' VAL . 93.6 t -134.69 135.48 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.137 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.886 ' HB ' HG21 ' J' ' 31' ' ' ILE . 13.6 tt -64.72 118.85 7.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.105 0.479 . . . . 10.0 111.357 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.939 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.01 0.434 . . . . 10.0 111.209 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -95.62 108.54 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.517 ' HB3' ' HA ' ' B' ' 13' ' ' HIS . 21.7 t60 -80.45 94.02 6.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.585 ' HB2' ' CD2' ' D' ' 14' ' ' HIS . 51.8 m170 -89.27 100.11 12.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.027 0.441 . . . . 10.0 112.008 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -116.07 104.75 11.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.418 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -113.24 121.46 44.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.719 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.0 109.07 15.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 9.1 p -131.95 128.77 60.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.629 0.728 . . . . 10.0 112.382 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.61 126.79 47.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.992 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.41 111.33 23.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.51 107.05 14.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -106.34 121.34 44.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.42 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 23' ' ' ASP . 1.6 t0 -108.78 120.46 42.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.19 10.43 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.947 0.403 . . . . 10.0 110.076 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.529 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -135.56 -65.12 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.514 -0.85 . . . . 10.0 113.02 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 92.34 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.596 0.198 . . . . 10.0 110.645 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' D' ' 27' ' ' ASN . 63.1 t30 -62.56 145.58 54.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 79.4 tttt -125.48 -102.67 0.36 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.6 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.84 109.54 0.38 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.548 -1.311 . . . . 10.0 113.573 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.44 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.809 HD12 HG22 ' K' ' 39' ' ' VAL . 1.4 pt -108.62 119.67 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.501 0.667 . . . . 10.0 111.203 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.28 102.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.776 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.53 106.18 2.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.653 -0.785 . . . . 10.0 111.555 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HA ' ' HB2' ' D' ' 34' ' ' LEU . 5.5 mp -96.06 80.39 3.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.082 0.468 . . . . 10.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.831 ' HG2' ' HA3' ' K' ' 37' ' ' GLY . 4.6 mpp? -91.13 63.12 4.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.867 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' B' ' 36' ' ' VAL . 41.3 t -95.74 126.58 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.497 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.975 ' HA3' ' HG2' ' K' ' 35' ' ' MET . . . -143.67 164.16 27.46 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.172 -1.013 . . . . 10.0 112.95 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.72 147.36 17.79 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.493 -0.643 . . . . 10.0 111.493 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.951 HG21 ' HA3' ' K' ' 33' ' ' GLY . 2.2 t -136.63 127.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 10.0 110.773 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG22 ' B' ' 40' ' ' VAL . 53.6 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.047 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.675 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 35.1 mt-10 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 111.36 0.133 . . . . 10.0 111.36 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 3.0 p -141.01 164.0 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.471 -0.492 . . . . 10.0 111.944 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.421 ' H ' HG22 ' D' ' 12' ' ' VAL . 6.3 t60 -88.79 129.7 35.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.866 0.365 . . . . 10.0 111.727 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' C' ' 14' ' ' HIS . 34.3 m170 -129.47 87.86 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.79 130.06 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 10.0 111.793 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -130.65 121.94 26.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.26 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.66 110.59 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.472 -0.785 . . . . 10.0 109.71 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.731 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.8 t -120.17 114.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.372 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -116.53 127.41 54.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.9 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.08 122.07 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.64 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.29 97.32 5.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.0 94.99 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.31 94.4 8.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 41.3 t -87.79 -28.16 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -90.82 -103.17 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.346 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -121.84 110.46 15.91 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' C' ' 27' ' ' ASN . 0.6 OUTLIER -66.32 150.69 48.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.869 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 34.2 tttm -139.9 -51.42 0.5 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.795 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.27 125.97 3.02 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.139 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.58 165.42 11.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 1.008 HD11 HG23 ' E' ' 31' ' ' ILE . 9.4 pt -106.28 113.22 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.657 0.741 . . . . 10.0 110.948 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.484 HG12 HD12 ' E' ' 32' ' ' ILE . 23.2 mt -116.63 112.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.158 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.778 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -107.46 112.56 3.73 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.757 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -101.73 80.13 2.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' L' ' 37' ' ' GLY . 4.6 mpp? -97.45 81.75 3.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 10.0 110.531 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' C' ' 36' ' ' VAL . 25.4 t -108.71 116.38 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.534 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 1.093 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -134.62 124.6 3.52 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.1 -1.048 . . . . 10.0 112.931 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.08 132.13 6.7 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.428 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 1.082 ' HB ' HD11 ' L' ' 31' ' ' ILE . 10.4 m -133.4 149.98 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.765 0.316 . . . . 10.0 111.198 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.688 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.4 p -147.25 143.67 19.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.817 0.341 . . . . 10.0 111.127 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.92 127.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.73 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.351 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.743 ' HA ' HG22 ' F' ' 12' ' ' VAL . 1.9 mp0 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.654 0.74 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.425 HG12 ' H ' ' D' ' 12' ' ' VAL . 26.8 m -90.16 158.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.961 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -96.2 101.4 13.04 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.293 -1.002 . . . . 10.0 108.293 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.51 106.19 18.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.177 0.513 . . . . 10.0 111.128 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -116.11 107.16 14.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.989 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -114.99 116.57 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.341 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.36 112.67 23.43 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB ' ' D' ' 18' ' ' VAL . 0.9 OUTLIER -127.03 124.69 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.361 0.601 . . . . 10.0 112.374 -179.029 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -123.18 123.54 41.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.568 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -109.18 107.34 17.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.572 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 112.35 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.31 119.46 22.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.868 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.502 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 3.1 t70 -115.89 132.52 56.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 10.0 110.197 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.696 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -119.86 32.78 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.374 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.2 -74.19 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.68 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -151.91 115.86 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.475 -0.426 . . . . 10.0 110.523 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -84.39 144.66 28.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.869 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 10.4 mttm -125.89 -54.39 1.52 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.873 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.422 ' O ' ' HA3' ' F' ' 29' ' ' GLY . . . 134.09 119.32 1.96 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.026 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -93.28 161.79 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.112 0.165 . . . . 10.0 110.653 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 1.008 HG23 HD11 ' D' ' 31' ' ' ILE . 7.3 mt -106.43 86.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.484 HD12 HG12 ' D' ' 32' ' ' ILE . 5.4 mt -100.15 111.02 28.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.275 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.427 ' CA ' HG11 ' M' ' 39' ' ' VAL . . . -116.83 99.67 0.86 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 10.0 113.266 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' F' ' 34' ' ' LEU . 5.9 mp -92.91 90.98 7.2 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.51 75.14 1.0 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.408 0.623 . . . . 10.0 110.552 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' F' ' 36' ' ' VAL . 33.9 m -103.52 140.56 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.871 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' M' ' 35' ' ' MET . . . -144.17 157.76 27.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.145 -1.026 . . . . 10.0 112.71 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.24 131.26 4.0 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.201 -0.76 . . . . 10.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 1.029 HG21 ' HA3' ' M' ' 33' ' ' GLY . 54.3 t -130.33 121.87 52.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 10.0 111.898 -179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG23 ' D' ' 40' ' ' VAL . 86.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.76 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.968 ' HB ' HG12 ' G' ' 12' ' ' VAL . 2.8 t -113.84 108.95 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 125.1 31.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.454 0.538 . . . . 10.0 112.454 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -126.1 94.55 4.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.146 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.8 tt0 -111.65 124.98 53.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.488 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -133.49 128.29 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.197 0.523 . . . . 10.0 111.863 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 8.0 mp -115.56 114.12 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.342 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' G' ' 18' ' ' VAL . 29.9 t -117.08 113.94 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.347 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.96 124.08 47.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.621 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.57 129.9 54.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.608 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.23 86.55 2.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -98.39 100.24 11.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.448 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.823 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 9.8 m-20 -100.44 101.93 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.02 0.438 . . . . 10.0 110.881 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' G' ' 24' ' ' VAL . 7.6 m -94.15 0.54 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 10.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.48 -63.76 0.38 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.829 -0.7 . . . . 10.0 111.731 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.7 p 176.64 118.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 1.047 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 25.4 p30 -82.11 140.92 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.0 OUTLIER -105.38 -30.28 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.13 -0.941 . . . . 10.0 108.809 178.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 114.61 114.09 3.02 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.891 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.494 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -97.87 150.7 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.643 ' HB ' HD12 ' E' ' 31' ' ' ILE 0.259 12.0 tt -101.46 109.04 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.769 0.795 . . . . 10.0 112.183 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.521 HG12 HD12 ' G' ' 32' ' ' ILE . 29.6 mt -113.15 116.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.757 -1.11 . . . . 10.0 109.974 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.21 111.98 3.47 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.595 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' E' ' 34' ' ' LEU . 2.4 mm? -96.19 74.44 2.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.488 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.4 mpt? -88.65 69.55 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.035 0.445 . . . . 10.0 110.106 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' E' ' 36' ' ' VAL . 42.4 t -100.77 119.65 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.007 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.422 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -129.33 148.87 18.44 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.811 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' G' ' 38' ' ' GLY . . . -140.42 144.76 15.28 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.43 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 1.027 ' HB ' HG12 ' G' ' 39' ' ' VAL . 2.1 t -144.44 141.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 122.155 0.182 . . . . 10.0 111.208 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.527 HG23 HG13 ' G' ' 40' ' ' VAL . 7.3 p -152.63 161.67 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.43 152.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 10.0 110.79 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.434 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.902 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--O 1.233 0.237 0 CA-C-O 121.312 0.577 . . . . 10.0 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.968 HG12 ' HB ' ' F' ' 12' ' ' VAL . 14.2 m -112.59 129.2 68.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.699 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 9.6 t60 -88.66 108.85 19.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.591 -1.263 . . . . 10.0 107.591 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -96.67 124.47 40.67 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.177 -0.465 . . . . 10.0 112.029 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HG3' ' F' ' 15' ' ' GLN . 2.1 tp60 -128.57 97.96 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -111.72 119.07 37.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.835 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.516 HD13 HD23 ' G' ' 34' ' ' LEU . 47.9 mt -117.76 106.08 12.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.3 m -119.95 123.44 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.422 0.629 . . . . 10.0 112.339 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' H' ' 19' ' ' PHE . 31.5 m-85 -124.93 121.22 33.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.411 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.4 109.77 21.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 10.0 111.618 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.69 115.99 27.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.841 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -117.92 134.83 54.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.194 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.823 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.0 OUTLIER -108.45 143.11 37.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.513 ' HA ' HG22 ' F' ' 24' ' ' VAL . 77.4 t -129.58 -34.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.858 0.361 . . . . 10.0 110.713 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -109.97 -67.05 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.343 -0.932 . . . . 10.0 112.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 21.2 m -153.12 112.38 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.615 0.245 . . . . 10.0 110.658 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 1.047 ' HB3' ' HA ' ' F' ' 27' ' ' ASN . 18.6 t-20 -65.35 144.17 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.605 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -121.43 -54.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.661 0.267 . . . . 10.0 110.337 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.494 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 120.95 114.58 2.37 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.056 -1.068 . . . . 10.0 112.864 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.865 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -91.37 170.3 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.521 0.201 . . . . 10.0 111.183 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.598 HD13 HG12 ' O' ' 41' ' ' ILE . 0.4 OUTLIER -107.03 90.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 179.09 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.619 HG12 HD12 ' H' ' 32' ' ' ILE . 7.3 mt -101.81 104.22 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.291 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.63 105.33 2.01 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.668 -0.777 . . . . 10.0 111.961 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.714 ' HA ' ' HB2' ' H' ' 34' ' ' LEU . 6.5 mp -93.7 74.28 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.921 0.391 . . . . 10.0 110.743 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.447 ' O ' ' HE3' ' H' ' 35' ' ' MET . 2.2 ptp -81.5 76.36 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.123 0.963 . . . . 10.0 109.685 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.456 ' HA ' ' HB ' ' H' ' 36' ' ' VAL . 40.9 t -94.3 111.26 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.592 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.74 123.04 5.68 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.521 -0.847 . . . . 10.0 111.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' F' ' 38' ' ' GLY . . . -133.61 112.77 1.12 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.514 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 1.027 HG12 ' HB ' ' F' ' 39' ' ' VAL . 27.0 m -127.29 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.313 0.578 . . . . 10.0 111.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' P' ' 31' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.173 -0.921 . . . . 10.0 110.625 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.556 0.217 . . . . 10.0 110.451 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.53 HG21 ' N ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -66.21 132.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.986 179.086 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 13.4 t60 -70.84 133.19 46.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -116.16 101.4 8.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.112 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.45 129.68 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.721 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -139.05 115.52 10.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.77 117.25 30.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 t -116.71 123.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.466 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' G' ' 19' ' ' PHE . 23.5 m-85 -127.25 137.92 52.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.843 0.354 . . . . 10.0 110.495 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -114.57 132.72 56.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.754 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -141.64 87.12 2.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.43 136.36 46.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' G' ' 23' ' ' ASP . 5.1 t70 -100.54 151.64 21.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.815 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -126.02 -34.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 10.0 109.947 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -132.53 -51.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.006 -0.616 . . . . 10.0 113.028 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -143.07 110.79 5.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.504 -0.409 . . . . 10.0 110.421 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.564 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -65.9 151.12 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.86 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.672 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 35.4 tttp -136.53 -178.59 5.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.603 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.865 ' HA2' ' HA ' ' G' ' 30' ' ' ALA . . . -101.26 92.18 1.01 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.296 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.5 139.22 40.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.589 HD11 HG23 ' P' ' 39' ' ' VAL . 9.6 tt -84.21 112.96 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.619 HD12 HG12 ' G' ' 32' ' ' ILE . 8.8 mt -126.56 107.01 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.878 0.371 . . . . 10.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.72 106.54 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 111.405 -0.678 . . . . 10.0 111.405 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.714 ' HB2' ' HA ' ' G' ' 34' ' ' LEU . 2.2 mm? -96.77 79.1 2.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.278 . . . . 10.0 111.152 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.447 ' HE3' ' O ' ' G' ' 35' ' ' MET . 7.2 tpt -84.95 91.81 8.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.22 0.533 . . . . 10.0 110.067 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' G' ' 36' ' ' VAL . 51.4 t -98.6 122.87 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.256 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HG2' ' P' ' 35' ' ' MET . . . -118.98 105.65 1.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.817 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.73 125.61 6.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 2.4 m -136.31 147.37 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.78 153.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 pt -94.09 156.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.656 0.265 . . . . 10.0 110.74 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.446 -0.788 . . . . 10.0 110.221 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' J' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.436 0.636 . . . . 10.0 110.236 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.93 162.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.929 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -90.54 95.27 10.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.901 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -87.2 86.69 7.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.181 0.515 . . . . 10.0 110.613 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -105.34 109.42 21.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.563 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -114.84 115.72 27.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.26 116.96 28.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.62 135.29 30.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -116.55 114.9 24.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.164 -0.926 . . . . 10.0 109.632 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.38 105.35 17.41 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 115.72 30.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.852 0.358 . . . . 10.0 111.131 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.93 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 72.1 mm-40 -91.35 137.56 32.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.039 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' J' ' 27' ' ' ASN . 0.0 OUTLIER -116.0 113.27 23.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.713 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.58 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 6.2 t -133.43 -16.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 10.0 110.504 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.79 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.271 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -57.79 129.13 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.749 0.275 . . . . 10.0 110.588 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.41 147.42 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.519 0.199 . . . . 10.0 111.395 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.708 ' HD3' ' HG2' ' J' ' 28' ' ' LYS . 26.8 mtpt -144.72 -105.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.528 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.41 125.23 0.84 Allowed Glycine 0 CA--C 1.517 0.166 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.2 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -89.96 137.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 111.841 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 1.6 mt -86.81 93.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -111.34 126.69 68.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.381 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.2 122.53 5.64 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -109.9 100.16 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.779 0.323 . . . . 10.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -110.26 16.06 21.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.158 0.504 . . . . 10.0 110.291 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.558 HG12 ' HB ' ' J' ' 36' ' ' VAL . 6.4 m -64.36 146.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.334 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' J' ' 37' ' ' GLY . . . 167.95 -169.24 41.24 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.627 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.94 -179.98 47.63 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.478 -0.868 . . . . 10.0 112.251 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.653 HG13 HG23 ' J' ' 39' ' ' VAL . 7.6 p -157.37 132.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.065 0.459 . . . . 10.0 110.544 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' J' ' 40' ' ' VAL . 14.0 t -130.78 158.31 43.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 pt -57.9 142.22 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.444 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' I' ' 11' ' ' GLU . 51.4 mt-10 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.965 0.412 . . . . 10.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.536 ' HB ' HG12 ' K' ' 12' ' ' VAL . 2.4 t -96.02 108.72 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -83.08 115.04 21.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.201 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.65 92.3 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -108.13 112.01 24.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.534 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -115.14 109.08 17.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.397 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.412 ' HG ' HD12 ' K' ' 17' ' ' LEU . 4.8 mp -108.91 96.15 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' K' ' 18' ' ' VAL . 13.2 t -113.3 117.24 54.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 10.0 111.062 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.95 126.63 55.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.474 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -111.33 122.04 46.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.87 101.15 5.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.93 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 1.2 pt-20 -106.59 87.36 2.51 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.709 ' HA ' ' HB3' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -77.13 88.72 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.065 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.58 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 16.9 t -86.95 -14.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.621 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.66 -65.79 0.77 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.306 -0.949 . . . . 10.0 111.889 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 60.4 m -157.78 118.26 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 7.5 m120 -68.71 146.45 52.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.998 ' HD2' ' HA ' ' K' ' 28' ' ' LYS . 15.7 mttp -139.95 -107.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.85 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -157.12 90.24 0.11 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.764 -1.208 . . . . 10.0 113.568 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.6 127.98 33.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.991 HD11 HG22 ' B' ' 39' ' ' VAL . 1.6 tp -92.84 104.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.629 0.728 . . . . 10.0 111.3 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.16 131.75 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.56 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.78 115.25 2.3 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.957 -0.64 . . . . 10.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' K' ' 34' ' ' LEU . 91.4 mt -108.67 99.86 9.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.691 0.282 . . . . 10.0 110.801 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.9 mmt -109.09 35.8 3.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.351 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' K' ' 36' ' ' VAL . 15.0 t -75.24 114.22 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.794 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' I' ' 37' ' ' GLY . . . -145.05 137.22 7.0 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.766 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.66 136.82 9.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 10.0 111.821 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.885 HG22 HD12 ' B' ' 31' ' ' ILE . 3.2 p -124.73 127.12 72.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.162 0.506 . . . . 10.0 110.777 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.604 ' HB ' HG13 ' I' ' 40' ' ' VAL . 69.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.675 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' L' ' 12' ' ' VAL . 33.3 mm-40 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.855 0.359 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.536 HG12 ' HB ' ' J' ' 12' ' ' VAL . 2.7 m -106.39 109.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.305 0.574 . . . . 10.0 112.383 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -77.35 103.04 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . 0.934 ' HB2' ' HD2' ' L' ' 14' ' ' HIS . 31.4 m170 -94.57 107.76 19.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.054 0.454 . . . . 10.0 111.41 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -121.47 101.24 7.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.372 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -110.09 124.45 51.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.325 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.412 HD12 ' HG ' ' J' ' 17' ' ' LEU . 13.4 mt -125.19 105.52 9.2 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' J' ' 18' ' ' VAL . 3.4 m -124.96 128.13 72.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.386 0.612 . . . . 10.0 112.251 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' L' ' 19' ' ' PHE . 60.0 m-85 -125.01 121.75 35.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.619 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.62 112.02 24.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.233 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 110.22 18.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' J' ' 22' ' ' GLU . 40.0 mt-10 -109.54 117.51 34.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.797 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' J' ' 23' ' ' ASP . 4.3 t70 -103.39 117.56 34.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.56 -5.76 11.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 121.323 0.582 . . . . 10.0 109.747 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.98 -76.93 0.53 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.754 -0.736 . . . . 10.0 113.013 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -158.33 95.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.262 -0.273 . . . . 10.0 110.262 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . 0.62 ' HA ' ' HB2' ' L' ' 27' ' ' ASN . 55.9 t30 -63.5 147.65 50.77 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.144 0.497 . . . . 10.0 112.023 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.998 ' HA ' ' HD2' ' J' ' 28' ' ' LYS . 41.9 tttm -127.19 -64.63 0.99 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.738 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.86 110.03 0.38 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.525 -1.321 . . . . 10.0 113.791 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 153.97 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.763 ' HB ' HG23 ' J' ' 31' ' ' ILE . 9.4 tt -108.29 114.48 46.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.525 0.679 . . . . 10.0 112.7 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.475 HG12 HD12 ' L' ' 32' ' ' ILE . 39.0 mt -116.14 112.2 38.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 10.0 109.114 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' C' ' 39' ' ' VAL . . . -113.96 113.36 3.05 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.387 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.704 ' HA ' ' HB2' ' L' ' 34' ' ' LEU . 6.5 mp -99.79 89.23 4.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.107 0.48 . . . . 10.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.975 ' HG2' ' HA3' ' C' ' 37' ' ' GLY . 4.1 mpp? -94.97 57.47 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.515 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' J' ' 36' ' ' VAL . 25.8 t -93.54 126.77 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.093 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . 0.831 ' HA3' ' HG2' ' C' ' 35' ' ' MET . . . -149.55 172.69 29.5 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.161 -1.019 . . . . 10.0 112.42 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.54 151.05 19.94 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.819 -0.705 . . . . 10.0 111.741 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.809 HG22 HD12 ' C' ' 31' ' ' ILE . 7.6 p -135.35 126.9 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 110.385 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' L' ' 40' ' ' VAL . 17.5 t -124.37 134.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.698 ' HA ' HG21 ' C' ' 31' ' ' ILE . 19.0 tt -64.88 139.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 10.0 110.973 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.746 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.71 ' H ' HG12 ' M' ' 12' ' ' VAL . 2.0 p -134.15 176.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.707 ' H ' HG22 ' L' ' 12' ' ' VAL . 28.9 t60 -103.81 131.76 50.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.356 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . 0.934 ' HD2' ' HB2' ' K' ' 14' ' ' HIS . 18.6 m80 -124.37 97.58 5.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -114.08 120.27 40.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.107 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -127.94 118.85 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.555 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' K' ' 17' ' ' LEU . 8.4 mp -114.4 114.95 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.557 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.2 t -124.08 114.38 40.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.949 0.404 . . . . 10.0 110.369 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.438 ' HB2' ' CD2' ' K' ' 19' ' ' PHE . 17.9 m-85 -118.21 126.24 51.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.994 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.2 126.43 52.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.49 94.08 3.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -98.79 90.32 4.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.582 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.672 ' HB3' ' ND2' ' L' ' 27' ' ' ASN . 0.8 OUTLIER -89.37 84.5 6.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.308 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 48.1 t -75.93 -31.31 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.197 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.14 -138.66 9.68 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.272 -0.966 . . . . 10.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 121.98 27.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.672 ' ND2' ' HB3' ' L' ' 23' ' ' ASP . 0.6 OUTLIER -81.19 151.83 28.0 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.634 ' HA ' ' HD3' ' K' ' 28' ' ' LYS . 14.4 tttm -138.52 -52.48 0.59 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.722 0.296 . . . . 10.0 110.381 177.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.52 117.87 2.11 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.087 -1.054 . . . . 10.0 114.31 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.57 162.57 12.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 1.082 HD11 ' HB ' ' D' ' 39' ' ' VAL . 1.5 tt -112.26 121.65 65.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.478 0.656 . . . . 10.0 112.716 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.525 HG12 HD11 ' M' ' 32' ' ' ILE . 22.4 mt -113.99 116.14 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.747 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.86 108.4 2.73 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.118 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.704 ' HB2' ' HA ' ' K' ' 34' ' ' LEU . 2.3 mm? -98.75 85.15 3.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 1.093 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 5.1 mpp? -100.98 85.54 2.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.376 0.608 . . . . 10.0 110.649 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.582 ' HB ' HG13 ' K' ' 36' ' ' VAL . 12.3 t -115.41 127.82 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.022 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' D' ' 35' ' ' MET . . . -148.59 128.2 2.75 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.036 -1.078 . . . . 10.0 113.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.09 140.0 11.48 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 10.0 111.6 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 1.03 HG13 HG12 ' M' ' 39' ' ' VAL . 0.9 OUTLIER -131.78 139.93 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 10.0 112.007 -179.422 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' K' ' 40' ' ' VAL . 55.0 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.304 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.394 0.616 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.71 HG12 ' H ' ' L' ' 12' ' ' VAL . 22.0 m -119.88 150.65 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.889 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -84.78 104.86 15.11 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.82 107.86 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.658 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -115.74 103.14 10.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -109.35 117.26 33.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -116.31 109.84 17.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.217 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.6 m -124.86 124.23 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD11 ' N' ' 34' ' ' LEU . 16.7 m-85 -122.19 125.49 46.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.589 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.99 114.52 27.9 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.82 116.21 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -126.07 116.4 21.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.351 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -114.84 125.82 54.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.653 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -114.46 15.85 8.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.427 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -137.97 -70.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.262 -0.97 . . . . 10.0 113.399 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.0 m -157.35 98.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.59 -0.359 . . . . 10.0 110.853 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -72.99 133.66 44.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' N' ' 28' ' ' LYS . 5.5 tttp -107.39 -76.95 0.6 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.347 . . . . 10.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.65 85.52 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.482 -1.342 . . . . 10.0 114.027 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' N' ' 29' ' ' GLY . . . -83.77 137.23 33.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.415 -0.957 . . . . 10.0 108.415 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.944 HD11 HG23 ' D' ' 39' ' ' VAL . 14.1 tt -101.9 114.48 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.677 0.751 . . . . 10.0 112.727 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.879 HG22 ' HB ' ' N' ' 32' ' ' ILE . 2.9 pt -110.86 121.89 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.906 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 1.029 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -116.12 117.25 3.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.377 -0.916 . . . . 10.0 112.943 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.722 ' HG ' HD12 ' N' ' 34' ' ' LEU . 6.5 mp -104.1 91.05 3.78 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.063 0.458 . . . . 10.0 109.79 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA3' ' E' ' 37' ' ' GLY . 7.4 mtm -101.92 93.2 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.513 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 1.3 p -127.16 130.07 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.21 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . 0.442 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -150.07 171.72 30.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.615 -0.802 . . . . 10.0 112.168 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.06 145.33 7.81 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.626 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 1.03 HG12 HG13 ' L' ' 39' ' ' VAL . 18.3 m -131.6 138.63 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.538 0.209 . . . . 10.0 110.615 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.974 HG12 ' HB ' ' N' ' 40' ' ' VAL . 30.5 m -146.78 174.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.458 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' M' ' 41' ' ' ILE . 1.0 OUTLIER -143.39 137.39 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.014 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.49 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.17 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' O' ' 11' ' ' GLU . 12.3 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.158 0.504 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.421 HG21 ' N ' ' M' ' 12' ' ' VAL . 0.6 OUTLIER -71.1 139.96 19.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.408 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 132.21 44.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -122.31 95.79 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.379 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -98.22 128.95 44.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' N' ' 16' ' ' LYS . 12.7 ttmt -129.86 94.5 3.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.841 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.2 mp -100.34 112.56 24.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.562 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' O' ' 18' ' ' VAL . 23.2 t -119.77 113.87 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.441 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' N' ' 34' ' ' LEU . 56.8 m-85 -119.96 117.97 29.47 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.842 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.17 130.35 55.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.988 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.03 98.79 3.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.05 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -105.75 105.41 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.568 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.604 ' CG ' ' HB3' ' N' ' 27' ' ' ASN . 15.3 m-20 -98.45 103.61 15.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.425 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' O' ' 24' ' ' VAL . 62.5 t -82.99 -23.53 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.217 0.532 . . . . 10.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -101.3 -69.71 0.87 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.432 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -178.2 130.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.604 ' HB3' ' CG ' ' N' ' 23' ' ' ASP . 11.1 p30 -95.43 149.35 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 10.0 111.003 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.623 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 18.6 tttp -106.25 -83.96 0.52 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.537 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' M' ' 30' ' ' ALA . . . -162.57 77.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.144 -1.027 . . . . 10.0 113.037 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.78 135.35 35.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.855 HG12 HG23 ' M' ' 31' ' ' ILE . 0.1 OUTLIER -106.19 113.96 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.899 0.857 . . . . 10.0 112.362 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.879 ' HB ' HG22 ' M' ' 32' ' ' ILE . 69.9 mt -106.11 103.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.183 -1.044 . . . . 10.0 108.183 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.712 ' HA3' HG21 ' F' ' 39' ' ' VAL . . . -99.95 117.0 5.74 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.384 -0.913 . . . . 10.0 112.801 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.722 HD12 ' HG ' ' M' ' 34' ' ' LEU . 81.6 mt -111.78 107.73 16.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' O' ' 35' ' ' MET . 4.8 mtm -122.88 98.59 5.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' O' ' 36' ' ' VAL . 1.8 p -128.85 127.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.438 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.488 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -144.63 130.11 3.81 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.705 -0.759 . . . . 10.0 111.902 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.38 153.79 18.24 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.079 -0.808 . . . . 10.0 111.079 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.75 HG12 HG22 ' M' ' 39' ' ' VAL . 10.6 m -137.23 127.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.108 0.454 . . . . 10.0 111.629 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.974 ' HB ' HG12 ' M' ' 40' ' ' VAL . 43.0 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.965 0.412 . . . . 10.0 111.003 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.666 ' HG2' ' HG3' ' P' ' 11' ' ' GLU . 34.5 mt-10 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.159 0.504 . . . . 10.0 110.261 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -81.77 -179.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.63 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -120.91 104.12 9.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -92.35 110.63 22.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.879 0.371 . . . . 10.0 111.136 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.21 102.65 11.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.663 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' O' ' 16' ' ' LYS . 1.3 mtpp -102.45 98.65 8.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.001 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.508 ' HB2' ' HG ' ' N' ' 17' ' ' LEU . 2.4 mm? -103.53 110.88 23.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' N' ' 18' ' ' VAL . 7.2 p -136.32 124.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.577 0.703 . . . . 10.0 112.657 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.71 124.27 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.21 -0.905 . . . . 10.0 109.736 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.92 107.05 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.987 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.11 128.38 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.887 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.46 129.0 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' O' ' 27' ' ' ASN . 0.6 OUTLIER -116.6 144.43 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.068 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.531 ' HA ' ' HB ' ' N' ' 24' ' ' VAL . 2.6 t -135.42 11.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.26 0.552 . . . . 10.0 109.547 178.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.18 -74.62 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.179 -1.01 . . . . 10.0 113.278 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -146.76 101.26 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.95 ' HA ' ' HB2' ' P' ' 27' ' ' ASN . 41.1 t30 -88.15 96.91 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 5.0 tmtt? -67.06 -49.64 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.94 122.5 3.33 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.097 -1.049 . . . . 10.0 113.705 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.469 ' HB2' ' CA ' ' P' ' 29' ' ' GLY . . . -96.85 166.29 11.7 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.519 HG13 ' O ' ' O' ' 31' ' ' ILE . 0.6 OUTLIER -109.99 117.52 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.488 0.661 . . . . 10.0 109.546 178.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.701 HD11 HG12 ' N' ' 32' ' ' ILE . 4.9 pt -119.57 113.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.469 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -106.09 109.31 3.13 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' P' ' 34' ' ' LEU . 6.5 mp -102.0 102.48 13.0 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.667 ' HE3' ' HG3' ' P' ' 35' ' ' MET . 0.0 OUTLIER -119.98 102.43 8.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.187 0.518 . . . . 10.0 110.82 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.736 HG12 ' HB ' ' P' ' 36' ' ' VAL . 15.5 m -126.27 146.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.408 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.67 179.65 40.43 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.015 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.39 165.82 33.67 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.995 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.84 HG22 ' HB ' ' P' ' 39' ' ' VAL . 4.1 m -121.69 149.26 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.75 ' HB ' HG22 ' N' ' 40' ' ' VAL . 13.8 t -136.12 126.56 41.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.787 0.327 . . . . 10.0 111.742 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.598 HG12 HD13 ' G' ' 31' ' ' ILE . 1.4 mm -92.15 124.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.254 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . 0.666 ' HG3' ' HG2' ' O' ' 11' ' ' GLU . 9.4 pm0 . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.143 0.497 . . . . 10.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.79 109.49 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.05 122.06 20.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.397 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -118.74 106.6 12.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 10.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.76 107.89 18.86 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -111.59 117.09 32.0 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.72 96.22 5.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.454 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -110.93 118.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.419 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -121.06 145.68 47.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.1 123.12 41.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.958 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.35 70.78 1.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.246 0.546 . . . . 10.0 109.754 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -101.82 134.37 45.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.601 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' P' ' 27' ' ' ASN . 4.0 t0 -147.15 136.64 22.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.899 0.38 . . . . 10.0 110.427 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 m -103.67 -0.66 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.161 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.71 -115.09 2.62 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.249 -0.977 . . . . 10.0 111.959 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -101.62 97.12 7.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.95 ' HB2' ' HA ' ' O' ' 27' ' ' ASN . 1.6 m-20 -66.34 101.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.82 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -78.48 -79.63 0.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.25 0.548 . . . . 10.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' O' ' 30' ' ' ALA . . . 104.35 120.42 4.76 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 115.472 -0.785 . . . . 10.0 112.778 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' G' ' 40' ' ' VAL . 0.5 OUTLIER -122.54 121.19 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.1 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.66 120.56 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.226 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.18 116.5 5.28 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.454 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' O' ' 34' ' ' LEU . 2.1 mm? -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.838 0.352 . . . . 10.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HE3' ' O' ' 35' ' ' MET . 2.8 mpt? -99.23 103.24 15.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.5 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.736 ' HB ' HG12 ' O' ' 36' ' ' VAL . 28.3 t -127.97 112.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.595 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.9 137.39 13.94 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.843 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.47 105.75 0.53 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.156 -0.545 . . . . 10.0 111.875 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.84 ' HB ' HG22 ' O' ' 39' ' ' VAL . 32.7 m -111.39 154.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.662 0.245 . . . . 10.0 111.662 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.601 179.502 . . . . . . . . 0 0 . 1 stop_ save_