data_2mvd_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mvd _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.887 0 CA-C-O 126.053 3.03 . . . . 25.0 114.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -59.42 -33.6 51.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 112.44 -1.88 . . . . 50.0 113.761 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.13 -52.0 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.296 -1.001 . . . . 50.0 108.296 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.68 -35.96 82.72 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -61.29 -55.7 28.85 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -44.04 90.61 Favored 'General case' 0 CA--C 1.563 1.469 0 O-C-N 122.044 -0.41 . . . . 50.0 111.507 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.76 -14.26 20.2 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.189 -0.91 . . . . 25.0 113.407 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.3 p -116.61 -20.68 9.48 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -136.27 121.18 18.71 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.428 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mm -56.25 123.78 8.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.016 -0.538 . . . . 50.0 111.0 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.3 112.12 17.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 124.389 1.056 . . . . 25.0 113.075 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 146.79 50.7 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 106.229 -1.767 . . . . 50.0 106.229 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.22 -38.37 68.35 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 113.554 0.946 . . . . 50.0 113.554 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -57.18 -41.37 79.16 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.372 -0.83 . . . . 50.0 110.108 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -76.28 -42.05 46.82 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 121.479 0.657 . . . . 50.0 111.182 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.79 -38.61 91.72 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.85 -31.98 71.4 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 115.617 -0.719 . . . . 50.0 110.58 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.26 -19.71 65.57 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.162 -1.015 . . . . 50.0 112.828 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -79.18 -20.31 48.74 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 121.354 -0.841 . . . . 50.0 112.416 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -157.12 118.18 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 123.102 1.429 . . . . 25.0 110.71 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--O 1.198 -1.619 0 CA-C-O 123.718 1.723 . . . . 50.0 112.47 178.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 CA--C 1.461 -2.473 0 CA-C-O 122.254 1.026 . . . . 25.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -89.82 128.99 41.46 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 CA-C-O 124.033 1.873 . . . . 25.0 106.129 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.94 102.77 8.46 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.201 -1.818 . . . . 50.0 106.41 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -132.73 169.6 16.46 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -74.4 -27.15 60.5 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.418 0.896 . . . . 50.0 113.418 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt 45.22 86.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 114.704 1.372 . . . . 50.0 114.704 175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -92.85 154.89 17.97 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.479 -0.763 . . . . 50.0 112.313 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.97 -131.19 48.49 Favored Glycine 0 CA--C 1.548 2.098 0 N-CA-C 115.772 1.069 . . . . 25.0 115.772 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.8 m -66.25 -31.26 71.96 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 123.946 0.898 . . . . 50.0 111.735 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -58.29 -35.48 71.87 Favored 'General case' 0 C--O 1.208 -1.081 0 O-C-N 121.424 -0.797 . . . . 50.0 110.918 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.01 -48.3 74.41 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.612 0.968 . . . . 50.0 113.612 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.22 -28.55 23.31 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.747 0 O-C-N 120.432 -1.418 . . . . 50.0 110.191 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.09 -46.09 68.63 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 117.241 -1.361 . . . . 50.0 108.059 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.01 86.08 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.664 1.12 . . . . 25.0 109.576 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.57 -36.16 80.4 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-O 121.284 0.564 . . . . 50.0 110.351 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.15 -40.64 90.74 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.061 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.73 -43.49 96.33 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.019 0.824 . . . . 50.0 109.592 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.21 -31.16 11.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 113.778 1.029 . . . . 50.0 113.778 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -79.79 -38.39 33.15 Favored 'General case' 0 C--O 1.195 -1.789 0 O-C-N 121.067 -1.021 . . . . 25.0 108.436 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.48 90.93 0.36 Allowed Glycine 0 N--CA 1.423 -2.181 0 CA-C-O 121.231 0.351 . . . . 25.0 112.495 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.48 167.64 0.17 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.714 1.376 . . . . 50.0 114.714 174.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 56.93 47.09 18.4 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 114.516 -1.22 . . . . 25.0 112.162 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 127.48 1.64 Allowed Glycine 0 CA--C 1.497 -1.06 0 N-CA-C 107.492 -2.243 . . . . 25.0 107.492 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.353 0.719 0 O-C-N 125.767 1.51 . . . . 50.0 111.336 -175.183 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 125.024 2.458 . . . . 25.0 113.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -52.65 -44.04 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 112.646 -1.777 . . . . 50.0 111.216 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.33 -52.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.876 -0.515 . . . . 50.0 111.226 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.88 -26.49 64.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.45 -0.5 . . . . 25.0 112.114 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -73.63 -39.46 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.595 -0.442 . . . . 25.0 111.199 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -32.27 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.983 1.105 . . . . 50.0 113.983 -176.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.1 m -72.19 -1.86 16.63 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 p -107.9 -5.94 16.92 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.312 0.486 . . . . 25.0 112.312 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -150.64 -170.01 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 -174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.69 138.12 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.224 -2.139 . . . . 50.0 105.224 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.2 m -103.73 151.52 22.92 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.98 151.16 49.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.788 0.435 . . . . 50.0 110.839 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -58.09 -36.33 72.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 50.0 112.141 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.48 -39.36 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.438 0.637 . . . . 50.0 111.378 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -87.7 -36.78 17.2 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.98 -0.45 . . . . 50.0 110.349 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.4 -38.66 71.82 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.038 0.447 . . . . 75.0 111.174 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -60.88 -24.97 66.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.051 0.76 . . . . 50.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.35 -28.23 68.5 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.99 2.75 48.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.99 0.424 . . . . 50.0 111.327 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.93 10.49 32.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 122.349 1.071 . . . . 25.0 109.549 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 p30 . . . . . 0 C--O 1.216 -0.68 0 CA-C-O 123.725 1.726 . . . . 50.0 111.737 177.274 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.69 146.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.24 123.4 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.289 -1.374 . . . . 50.0 107.289 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -145.89 154.52 42.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 50.0 110.198 -168.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -74.6 120.69 20.5 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.987 -1.486 . . . . 50.0 106.987 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.21 120.54 33.47 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 48.6 t -155.26 157.31 37.07 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.229 -1.026 . . . . 50.0 108.229 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.94 -145.23 49.16 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 111.159 -0.777 . . . . 25.0 111.159 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p -58.55 -29.82 66.64 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 122.628 -0.336 . . . . 50.0 111.866 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.76 -32.49 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.172 0.434 . . . . 50.0 112.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.09 -47.67 60.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 50.0 109.007 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.75 -39.13 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.201 0.524 . . . . 50.0 110.166 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.42 -40.41 85.53 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.917 -0.489 . . . . 50.0 111.638 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.99 91.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.58 -41.09 96.5 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.232 -0.44 . . . . 50.0 110.55 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -60.34 -45.21 94.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.873 0.368 . . . . 25.0 111.272 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.33 -35.08 75.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.875 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.0 -30.44 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.37 -0.532 . . . . 50.0 111.336 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.25 -44.36 25.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.649 -0.657 . . . . 25.0 110.66 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.48 5.13 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 116.14 1.216 . . . . 25.0 116.14 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.49 -0.17 28.41 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 50.95 33.03 8.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 116.871 2.174 . . . . 25.0 116.871 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.59 27.8 15.46 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 115.419 0.928 . . . . 25.0 115.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 116.902 2.186 . . . . 50.0 116.902 -171.108 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.71 0 CA-C-O 124.807 2.337 . . . . 25.0 112.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -45.85 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 112.452 -1.874 . . . . 50.0 111.736 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.71 -48.74 74.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 122.057 -0.402 . . . . 50.0 111.283 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.91 -35.17 79.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.994 -0.682 . . . . 25.0 110.053 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -61.16 -51.21 70.02 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 110.62 -0.141 . . . . 25.0 110.62 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -72.85 -26.46 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.03 -48.06 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.793 -0.567 . . . . 25.0 112.294 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.5 p -84.15 -38.5 20.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 25.0 112.206 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -113.21 168.77 9.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -88.71 116.62 30.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 105.828 -1.916 . . . . 50.0 105.828 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -93.74 122.84 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -71.6 156.39 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.47 -0.787 . . . . 50.0 109.764 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.42 -28.69 65.48 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 111.519 0.192 . . . . 75.0 111.519 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -64.21 -40.97 97.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 50.0 110.36 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -72.18 -39.91 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.662 -0.866 . . . . 50.0 108.662 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.885 0.374 . . . . 50.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.18 -26.43 67.71 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 111.891 0.33 . . . . 50.0 111.891 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -70.82 -16.32 62.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.681 -0.408 . . . . 50.0 110.356 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -87.05 -5.83 58.92 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.607 0.241 . . . . 50.0 111.188 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.18 97.1 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 125.522 1.529 . . . . 50.0 112.79 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 122.63 1.205 . . . . 25.0 113.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.5 t -117.9 119.28 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.522 -0.736 . . . . 25.0 109.587 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -75.04 106.16 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.55 172.17 14.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.97 -0.381 . . . . 50.0 109.97 -174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -80.07 139.68 36.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.651 -1.24 . . . . 50.0 107.651 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.7 121.65 25.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.981 0.42 . . . . 50.0 110.481 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -126.99 -159.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.844 -0.798 . . . . 50.0 108.844 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.44 135.03 1.67 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m 65.04 -49.55 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.44 1.644 . . . . 50.0 115.44 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -63.92 -40.13 95.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.676 -0.64 . . . . 50.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -65.3 -43.37 91.29 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.5 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.33 -43.84 98.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -66.49 -43.51 85.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.694 0.283 . . . . 50.0 110.946 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.03 97.2 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -35.15 79.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.903 0.335 . . . . 50.0 111.903 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.8 -45.34 93.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.77 -37.26 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.82 0.304 . . . . 50.0 111.82 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.36 -42.26 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.095 0.474 . . . . 50.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -40.94 24.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.72 -74.06 0.46 Allowed Glycine 0 C--O 1.221 -0.66 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.38 -34.69 68.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 115.787 1.773 . . . . 50.0 115.787 -168.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.26 24.49 1.6 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.84 110.67 3.7 Favored Glycine 0 C--O 1.216 -1.011 0 CA-C-O 118.927 -0.929 . . . . 25.0 111.843 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 114.801 1.408 . . . . 50.0 114.801 178.085 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.984 0 CA-C-O 123.696 1.72 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.3 tt -57.42 -32.98 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 119.302 -2.293 . . . . 50.0 112.1 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.41 -46.98 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.195 -0.602 . . . . 50.0 112.029 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.53 -33.63 76.38 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -66.22 -52.53 46.97 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.83 -0.544 . . . . 25.0 110.294 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.1 m -68.41 -21.98 64.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -87.49 -43.43 12.05 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 120.873 -1.142 . . . . 25.0 113.913 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -80.45 -27.73 37.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 25.0 112.364 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -124.92 164.91 19.07 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -83.56 124.22 39.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 106.779 -1.563 . . . . 50.0 106.779 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.42 113.28 26.24 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.954 0.883 . . . . 25.0 109.822 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -76.4 157.6 32.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.598 -0.728 . . . . 50.0 111.436 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.64 -36.91 72.47 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 112.355 0.502 . . . . 50.0 112.355 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -55.57 -46.98 77.12 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 122.359 1.076 . . . . 50.0 112.57 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -76.21 -36.65 58.5 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.309 -0.86 . . . . 50.0 110.827 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -35.93 79.73 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 122.037 -0.414 . . . . 50.0 110.03 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -61.56 -26.48 67.98 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.322 -0.861 . . . . 50.0 111.597 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -18.96 64.04 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.134 -0.627 . . . . 50.0 112.307 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.26 -17.03 50.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.994 -0.441 . . . . 50.0 109.981 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -86.76 -12.74 47.26 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 126.08 2.848 . . . . 50.0 113.713 179.369 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 C--O 1.194 -1.85 0 CA-C-O 123.389 1.566 . . . . 25.0 112.83 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.78 145.12 21.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 105.905 -1.887 . . . . 25.0 105.905 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -76.43 99.32 4.84 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 122.763 1.268 . . . . 50.0 111.961 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -133.91 175.7 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.388 -1.278 . . . . 50.0 108.346 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -77.71 111.52 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 mt -97.98 124.77 42.6 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 106.392 -1.707 . . . . 50.0 106.392 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.7 m -136.28 160.46 38.63 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 123.554 0.534 . . . . 50.0 111.151 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.13 -143.5 37.32 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.778 -0.646 . . . . 25.0 113.205 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -32.65 70.76 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.043 0.386 . . . . 50.0 112.043 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.36 -33.12 73.12 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.046 -0.409 . . . . 50.0 110.579 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.92 -59.72 3.27 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.46 -31.7 53.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.924 -0.71 . . . . 50.0 110.563 -174.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -71.79 -35.78 70.11 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 112.742 0.645 . . . . 50.0 112.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -41.1 88.94 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 120.905 0.383 . . . . 25.0 110.164 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.99 -42.5 97.19 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.146 -0.934 . . . . 50.0 108.698 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.985 0.422 . . . . 25.0 111.823 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.05 -41.55 98.26 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.946 -0.471 . . . . 50.0 111.852 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.75 -30.57 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 119.742 -0.783 . . . . 50.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -37.0 78.63 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.648 -0.657 . . . . 25.0 111.874 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.1 33.17 86.53 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.569 -1.013 . . . . 25.0 110.569 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -125.18 146.1 49.66 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.128 -0.631 . . . . 50.0 110.667 -174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -75.22 40.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.54 175.69 28.16 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.471 -0.786 . . . . 25.0 114.598 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.55 0.96 0 N-CA-C 114.358 1.244 . . . . 50.0 114.358 -174.842 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.731 0 CA-C-O 123.582 1.657 . . . . 25.0 114.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -47.88 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.589 1.556 . . . . 50.0 111.862 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.25 -46.02 91.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 121.883 -0.511 . . . . 50.0 110.066 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.25 -42.71 99.09 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 123.253 0.346 . . . . 25.0 110.66 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.38 -50.04 69.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.53 0.519 . . . . 25.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -25.58 61.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.781 1.03 . . . . 50.0 113.781 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -20.07 62.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.746 -0.382 . . . . 25.0 110.98 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 p -117.67 -22.9 7.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -107.73 165.02 11.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.91 123.58 36.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.55 -0.719 . . . . 50.0 109.573 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -79.03 154.09 29.73 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 p -149.78 151.4 33.51 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 107.405 -1.332 . . . . 50.0 107.405 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.23 -38.41 86.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.823 0.821 . . . . 50.0 110.722 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.42 -46.18 83.8 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.861 -0.608 . . . . 50.0 111.26 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.61 -38.86 67.67 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.103 -0.639 . . . . 50.0 110.517 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -28.92 69.65 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.77 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.795 -1.19 . . . . 50.0 110.587 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -68.94 -14.85 63.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.3 0.482 . . . . 50.0 112.3 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -97.94 12.59 33.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.3 t -59.4 -30.69 68.62 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.682 0.754 . . . . 25.0 110.947 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 124.747 2.213 . . . . 50.0 111.839 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 123.195 1.474 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.78 114.19 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -79.65 90.53 5.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -148.28 179.6 7.65 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.729 -1.582 . . . . 50.0 106.729 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -76.14 78.86 2.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.629 -0.878 . . . . 50.0 108.629 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.7 134.92 49.2 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.099 -1.445 . . . . 50.0 107.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 t -152.96 167.96 27.42 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 105.243 -2.132 . . . . 50.0 105.243 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.28 -148.64 50.35 Favored Glycine 0 C--N 1.31 -0.871 0 C-N-CA 120.477 -0.868 . . . . 25.0 113.497 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -61.13 -32.21 71.91 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.671 0.748 . . . . 50.0 112.882 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -65.38 -32.83 74.67 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 113.37 0.878 . . . . 50.0 113.37 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.1 -50.88 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.766 -0.457 . . . . 50.0 109.766 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.22 -30.02 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 120.544 -0.462 . . . . 50.0 110.536 -176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -48.24 75.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.37 96.86 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.15 0.976 . . . . 25.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.47 -38.73 90.68 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 121.772 -0.58 . . . . 50.0 110.713 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.413 ' CE2' ' HA ' ' B' ' 51' ' ' GLU . 31.4 t80 -57.55 -52.77 64.07 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 175.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.32 -34.15 76.06 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.473 1.108 . . . . 50.0 113.051 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.15 -46.05 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 120.699 -0.4 . . . . 50.0 110.148 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -7.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.998 2.221 . . . . 25.0 116.998 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.71 38.2 3.21 Favored Glycine 0 C--N 1.308 -1.025 0 O-C-N 121.241 -0.912 . . . . 25.0 115.162 -161.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.413 ' HA ' ' CE2' ' B' ' 46' ' ' TYR . 22.3 mt-10 -61.76 -38.62 88.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 118.026 0.913 . . . . 50.0 111.549 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -88.28 -2.23 58.48 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.671 -0.643 . . . . 25.0 110.684 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.09 -29.02 10.79 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 116.043 -0.526 . . . . 25.0 113.361 -175.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.834 0 CA-C-N 118.179 0.99 . . . . 50.0 111.43 -177.667 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.065 0 N-CA-C 109.124 -1.59 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.48 -37.67 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 119.669 -2.077 . . . . 50.0 115.929 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.68 -46.41 92.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 C-N-CA 119.391 -0.924 . . . . 50.0 110.176 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.73 -43.11 98.29 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.4 -34.51 41.78 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 124.726 1.266 . . . . 25.0 111.491 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.96 -46.53 8.81 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 119.099 0.863 . . . . 50.0 112.983 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -63.56 -11.13 22.11 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p -90.22 6.46 42.71 Favored 'General case' 0 N--CA 1.437 -1.118 0 O-C-N 121.299 -0.876 . . . . 25.0 111.576 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -135.68 -178.98 5.37 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 125.207 1.403 . . . . 25.0 109.67 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.86 -33.49 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 121.103 -0.998 . . . . 50.0 111.829 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m 66.33 42.51 2.99 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 123.896 0.878 . . . . 25.0 110.492 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -62.2 159.95 13.88 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.41 -27.06 68.27 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 113.929 1.085 . . . . 75.0 113.929 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.21 -46.67 65.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.379 -1.282 . . . . 50.0 109.03 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -80.48 -40.87 25.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.27 1.028 . . . . 50.0 110.429 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.22 -32.51 74.12 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.801 1.037 . . . . 50.0 113.801 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -66.05 -25.43 67.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.23 -0.441 . . . . 50.0 110.584 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.71 -22.54 66.96 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.026 -1.046 . . . . 50.0 111.874 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -84.66 0.94 48.5 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.606 0.717 . . . . 50.0 110.592 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -98.88 -6.36 29.12 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 123.978 1.847 . . . . 50.0 113.284 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 m -124.52 149.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -102.03 109.39 21.09 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 107.007 -1.479 . . . . 50.0 107.007 -174.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.31 168.0 21.09 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 100.941 -3.725 . . . . 50.0 100.941 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -68.2 141.07 56.08 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.176 1.465 . . . . 50.0 111.337 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.4 123.99 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.053 -0.976 . . . . 50.0 109.914 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -147.4 170.86 16.47 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 50.0 106.179 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.94 -143.81 46.88 Favored Glycine 0 C--O 1.209 -1.434 0 C-N-CA 120.682 -0.77 . . . . 25.0 113.463 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.1 t -61.06 -32.24 71.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.601 -0.94 . . . . 50.0 112.74 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -63.23 -31.27 72.38 Favored 'General case' 0 C--O 1.181 -2.518 0 O-C-N 121.115 -0.99 . . . . 50.0 110.332 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -67.16 -44.94 78.47 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.906 -1.121 . . . . 50.0 111.093 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 m -82.17 -21.57 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.591 0 O-C-N 124.21 0.944 . . . . 50.0 109.813 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -66.58 -43.86 83.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.72 1.248 . . . . 50.0 108.967 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.29 64.46 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 119.721 -1.862 . . . . 25.0 109.293 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -41.03 93.15 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.954 0.883 . . . . 50.0 110.237 173.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.89 -41.13 91.92 Favored 'General case' 0 N--CA 1.414 -2.239 0 O-C-N 121.056 -1.027 . . . . 25.0 109.968 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.59 -40.46 92.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.53 0.566 . . . . 50.0 112.53 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.0 -34.11 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 115.566 1.691 . . . . 50.0 115.566 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 9.75 1.29 Allowed 'General case' 0 C--O 1.279 2.615 0 N-CA-C 115.078 1.511 . . . . 25.0 115.078 -175.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.34 62.43 4.57 Favored Glycine 0 C--O 1.208 -1.525 0 C-N-CA 119.188 -1.482 . . . . 25.0 114.226 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.29 -27.83 68.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.83 1.252 . . . . 50.0 113.792 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -118.17 -16.94 9.69 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.342 0.591 . . . . 25.0 110.612 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.67 26.25 Favored Glycine 0 N--CA 1.436 -1.347 0 N-CA-C 109.092 -1.603 . . . . 25.0 109.092 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.48 1.041 0 O-C-N 122.146 -0.62 . . . . 50.0 111.723 -171.243 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 CA-C-O 124.899 2.388 . . . . 25.0 112.404 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -55.71 -32.74 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 112.628 -1.786 . . . . 50.0 112.814 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.88 -52.73 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.899 -0.501 . . . . 50.0 110.495 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -72.6 -24.52 61.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.948 0.404 . . . . 25.0 110.92 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -66.84 -39.85 87.77 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 122.229 -0.294 . . . . 25.0 110.857 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -28.95 15.23 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 115.173 1.546 . . . . 50.0 115.173 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -82.17 37.51 0.5 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.454 0.702 . . . . 25.0 112.105 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -125.91 -72.69 0.65 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -142.74 41.09 1.56 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt 68.33 107.6 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.991 1.317 . . . . 50.0 112.256 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.23 144.08 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.804 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.8 p -71.17 149.29 46.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.363 0.875 . . . . 50.0 113.363 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.01 -35.75 75.74 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.852 -0.613 . . . . 50.0 110.833 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -56.86 -43.74 81.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.257 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -78.54 -37.96 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.917 0.389 . . . . 50.0 110.16 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.36 -39.47 83.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.822 0.344 . . . . 50.0 111.474 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.32 -20.9 66.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.953 0.353 . . . . 50.0 111.953 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.83 -18.76 63.46 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.531 -0.731 . . . . 50.0 110.523 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -86.49 1.73 50.46 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.719 0.266 . . . . 50.0 111.719 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.79 -11.66 61.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.899 0.856 . . . . 25.0 109.899 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 123.065 1.412 . . . . 50.0 114.802 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 123.536 1.636 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 m -98.3 55.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 122.981 1.372 . . . . 25.0 109.706 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.04 35.18 0.13 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 117.576 2.435 . . . . 50.0 117.576 -174.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 60.32 170.96 0.09 Allowed 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 115.377 1.621 . . . . 50.0 115.377 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.74 91.96 8.79 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 106.71 -1.589 . . . . 50.0 106.71 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 84.8 mt -87.52 131.98 34.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.391 -0.822 . . . . 50.0 110.822 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 67.0 m -140.04 -71.59 0.38 Allowed 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.314 -0.403 . . . . 50.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.02 -143.63 3.73 Favored Glycine 0 N--CA 1.465 0.63 0 CA-C-N 116.388 -0.369 . . . . 25.0 113.312 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -56.09 -18.85 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.991 1.848 . . . . 50.0 115.991 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -30.95 71.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.577 -0.702 . . . . 50.0 110.292 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.05 -45.69 76.66 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -37.58 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 50.0 109.427 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.74 -43.83 92.09 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 120.364 0.126 . . . . 50.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.67 79.57 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.584 -0.697 . . . . 25.0 109.181 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.38 -32.07 71.98 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -72.7 -39.98 66.58 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.98 -31.24 72.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.708 -0.62 . . . . 50.0 110.805 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.51 -48.56 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 113.836 1.05 . . . . 50.0 113.836 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.7 m -112.07 -5.97 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -171.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.52 57.18 3.77 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 116.264 1.265 . . . . 25.0 116.264 -170.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.48 -61.84 2.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.036 0.418 . . . . 50.0 111.514 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -167.66 40.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.21 25.88 0.89 Allowed Glycine 0 C--O 1.212 -1.248 0 N-CA-C 117.279 1.671 . . . . 25.0 117.279 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 118.448 1.124 . . . . 50.0 112.973 -178.221 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.35 0 N-CA-C 115.433 0.933 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.55 -33.66 45.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.182 -1.187 . . . . 50.0 113.356 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.63 -54.24 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.496 -0.764 . . . . 50.0 110.656 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.75 -24.23 60.93 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.526 0.516 . . . . 25.0 112.01 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.81 -40.54 88.1 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.187 -0.321 . . . . 25.0 111.654 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.73 -35.94 10.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.586 1.328 . . . . 50.0 114.586 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -85.96 53.88 2.94 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 122.236 1.017 . . . . 25.0 112.13 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.49 -54.96 0.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.549 -1.205 . . . . 25.0 108.554 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -125.7 18.02 8.04 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt 62.64 84.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.144 0.977 . . . . 50.0 111.924 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -64.75 136.34 56.82 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 121.602 0.715 . . . . 25.0 109.702 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -86.2 163.77 17.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 114.906 -1.043 . . . . 50.0 111.342 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.41 -28.1 58.37 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.571 0.952 . . . . 75.0 113.571 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.53 -44.48 96.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.701 -1.222 . . . . 50.0 107.701 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.24 -40.92 62.08 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.13 -0.486 . . . . 50.0 109.774 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.76 -34.34 77.02 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.694 -0.629 . . . . 50.0 112.546 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -65.42 -21.72 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.762 -0.586 . . . . 50.0 111.518 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -65.91 -21.13 66.42 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.464 -0.772 . . . . 50.0 110.08 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.3 -0.04 57.16 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.52 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -100.45 100.61 11.4 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.077 -1.014 . . . . 25.0 109.013 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 124.381 2.039 . . . . 50.0 111.297 176.145 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 123.315 1.531 . . . . 25.0 114.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 107.05 18.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 O-C-N 120.159 -1.588 . . . . 25.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.98 100.64 2.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.057 -0.974 . . . . 50.0 112.993 173.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.03 175.74 7.51 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 104.631 -2.359 . . . . 50.0 104.631 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.47 102.98 9.07 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 121.598 0.713 . . . . 50.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.01 79.74 6.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 112.804 -1.998 . . . . 50.0 107.545 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 77.1 m -127.51 163.36 24.3 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.417 -2.438 . . . . 50.0 104.417 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.93 -142.25 47.49 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 119.267 -1.445 . . . . 25.0 110.175 172.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -65.89 -28.38 68.9 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.193 -1.181 . . . . 50.0 110.126 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -59.69 -32.17 70.25 Favored 'General case' 0 C--O 1.251 1.153 0 O-C-N 120.96 -1.088 . . . . 50.0 111.424 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.35 -52.5 58.02 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.131 0.967 . . . . 50.0 110.567 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.81 -21.52 14.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.343 -0.844 . . . . 50.0 109.891 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.46 -50.47 52.22 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-O 121.43 0.633 . . . . 50.0 109.642 174.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.17 96.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.015 -0.993 . . . . 25.0 110.68 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.73 -40.91 98.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.999 -0.371 . . . . 50.0 109.999 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.27 -43.6 94.31 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.597 0.713 . . . . 25.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.08 -36.23 83.35 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.774 -0.579 . . . . 50.0 112.301 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.7 p -87.19 -31.94 6.16 Favored 'Isoleucine or valine' 0 C--O 1.26 1.636 0 N-CA-C 112.791 0.663 . . . . 50.0 112.791 -176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.4 20.54 0.74 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 116.242 1.942 . . . . 25.0 116.242 -174.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.02 41.4 2.61 Favored Glycine 0 C--O 1.234 0.111 0 O-C-N 120.032 -1.668 . . . . 25.0 111.974 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.13 -38.02 87.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.586 0.754 . . . . 50.0 111.403 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -79.17 -28.44 42.72 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.717 0.77 . . . . 25.0 109.51 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.82 159.26 31.57 Favored Glycine 0 N--CA 1.434 -1.471 0 CA-C-N 113.807 -1.542 . . . . 25.0 111.116 -173.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 114.835 1.421 . . . . 50.0 114.835 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 N-CA-C 117.098 1.599 . . . . 25.0 117.098 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.46 -41.93 27.59 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 125.475 1.338 . . . . 50.0 114.086 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.6 -56.13 12.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 O-C-N 121.674 -0.641 . . . . 50.0 110.784 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.5 -24.32 67.41 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 118.292 -0.861 . . . . 25.0 109.958 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -80.39 -42.44 22.82 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -74.63 -25.34 59.16 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.359 -1.337 . . . . 50.0 112.614 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -68.63 -18.1 64.24 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.628 -0.67 . . . . 25.0 111.27 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -117.06 10.8 14.04 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 114.925 -1.034 . . . . 25.0 112.718 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -142.49 -173.64 3.92 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 118.104 0.411 . . . . 25.0 111.396 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -89.59 -40.71 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 O-C-N 120.741 -1.225 . . . . 50.0 113.578 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.2 m 54.2 86.81 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.263 1.425 . . . . 25.0 112.299 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -65.51 167.11 9.31 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.757 -1.11 . . . . 50.0 109.746 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD12 ' CE1' ' B' ' 31' ' ' PHE . 49.3 tp -63.26 -32.26 73.62 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.381 -0.824 . . . . 50.0 111.799 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.31 1.053 . . . . 50.0 112.237 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -71.65 -44.68 63.87 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 114.947 -1.024 . . . . 50.0 110.495 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.01 -39.49 94.91 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.733 -1.187 . . . . 50.0 109.477 -173.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.19 -24.93 60.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.527 0.517 . . . . 50.0 111.059 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -71.74 -14.98 62.17 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.11 -0.994 . . . . 50.0 112.022 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.17 -7.77 50.53 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.315 0.646 . . . . 50.0 111.973 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 m -115.89 11.77 15.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.906 1.379 . . . . 25.0 111.354 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 CA--C 1.585 2.3 0 CA-C-O 127.993 3.759 . . . . 50.0 110.821 -178.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 13' ' ' LEU . 55.9 t80 . . . . . 0 N--CA 1.519 3.019 0 CA-C-O 126.091 2.853 . . . . 25.0 113.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 31.1 m -117.82 135.79 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.638 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -102.34 125.11 48.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.682 -1.145 . . . . 50.0 109.452 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -161.43 175.44 12.18 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 105.257 -2.127 . . . . 50.0 105.257 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -68.41 136.11 52.79 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.954 -0.758 . . . . 50.0 108.954 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.74 123.3 40.2 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 t -139.87 -58.98 0.56 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 112.656 0.613 . . . . 50.0 112.656 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 -128.96 4.24 Favored Glycine 0 C--O 1.2 -1.972 0 CA-C-N 118.816 0.734 . . . . 25.0 111.906 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -58.45 -35.12 71.64 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.583 -1.539 . . . . 50.0 113.383 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -55.66 -35.82 66.39 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 113.832 1.049 . . . . 50.0 113.832 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.49 -55.69 10.91 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 124.874 1.359 . . . . 50.0 112.865 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.33 -32.47 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 O-C-N 122.017 -0.427 . . . . 50.0 110.162 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.65 -48.31 75.25 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 122.161 -0.337 . . . . 50.0 110.193 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.41 80.87 Favored 'General case' 0 C--O 1.195 -1.785 0 C-N-CA 118.176 -1.409 . . . . 25.0 107.875 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.48 -41.77 90.57 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.696 -0.483 . . . . 50.0 109.696 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -67.61 -43.07 81.31 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 124.421 1.075 . . . . 25.0 108.729 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.04 -45.26 82.06 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 119.035 -0.507 . . . . 50.0 110.94 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.79 -28.45 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 119.014 0.825 . . . . 50.0 111.969 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -39.69 68.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.85 72.89 Favored Glycine 0 C--O 1.218 -0.876 0 O-C-N 125.254 1.596 . . . . 25.0 112.381 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.07 150.02 20.71 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.493 1.139 . . . . 50.0 112.162 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -87.14 48.81 1.7 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.938 -1.028 . . . . 25.0 111.726 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.04 -130.92 2.64 Favored Glycine 0 C--O 1.254 1.357 0 N-CA-C 108.652 -1.779 . . . . 25.0 108.652 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 115.931 1.826 . . . . 50.0 115.931 177.409 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.951 0 N-CA-C 117.505 1.762 . . . . 25.0 117.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 tt -47.02 -45.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 O-C-N 118.979 -2.483 . . . . 50.0 115.913 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.12 -50.24 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 121.224 -0.922 . . . . 50.0 110.832 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -32.58 71.05 Favored 'General case' 0 C--O 1.19 -2.028 0 C-N-CA 119.416 -0.914 . . . . 25.0 109.485 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -66.32 -44.76 82.49 Favored 'General case' 0 C--O 1.204 -1.313 0 O-C-N 120.091 -1.63 . . . . 25.0 110.845 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.14 -32.69 74.29 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.45 -1.406 . . . . 50.0 110.372 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -72.92 -32.74 65.51 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.956 -1.09 . . . . 25.0 111.901 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 p -92.04 -27.41 17.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 p -120.9 158.44 27.66 Favored 'General case' 0 C--N 1.373 1.61 0 O-C-N 120.74 -1.225 . . . . 25.0 108.687 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -74.68 127.09 36.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 108.576 -0.898 . . . . 50.0 108.576 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 160.85 19.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 122.684 1.23 . . . . 25.0 108.96 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -134.79 148.85 50.3 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.679 -2.341 . . . . 50.0 104.679 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.1 tp -58.5 -38.26 77.28 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 123.814 0.696 . . . . 50.0 111.104 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -50.93 -43.68 60.16 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 123.832 0.707 . . . . 50.0 112.385 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.8 -36.44 36.99 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.375 -0.93 . . . . 50.0 110.834 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.79 -39.58 77.87 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.38 -27.2 67.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.732 -1.122 . . . . 50.0 112.651 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.3 -24.66 63.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.231 -0.588 . . . . 50.0 109.425 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.07 -7.87 59.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.162 -0.926 . . . . 50.0 110.244 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.81 11.09 14.4 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.184 1.553 . . . . 25.0 108.326 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 124.908 2.29 . . . . 50.0 112.214 -175.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.199 -1.588 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.92 146.7 27.81 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-N 118.944 0.793 . . . . 25.0 109.716 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -91.18 136.86 32.8 Favored 'General case' 0 C--O 1.258 1.528 0 C-N-CA 120.174 -0.61 . . . . 50.0 111.537 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -164.73 161.5 20.66 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 107.351 -1.351 . . . . 50.0 107.351 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.83 107.83 18.86 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.828 0.851 . . . . 50.0 108.83 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.29 115.84 28.08 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.349 -1.352 . . . . 50.0 107.349 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 m -121.84 156.91 32.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.586 -1.188 . . . . 50.0 113.604 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.58 -140.68 47.85 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 114.233 -1.349 . . . . 25.0 113.857 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -63.86 -26.18 68.49 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 124.579 0.811 . . . . 50.0 112.816 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.55 -29.44 70.7 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.945 -0.472 . . . . 50.0 111.155 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.57 -56.21 10.37 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 123.542 0.527 . . . . 50.0 110.193 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.96 -29.48 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 119.905 -0.718 . . . . 50.0 111.531 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.25 -45.06 74.22 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 120.272 -0.571 . . . . 50.0 111.713 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.8 95.53 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-O 121.838 0.828 . . . . 25.0 109.493 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -39.66 85.1 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 122.351 1.072 . . . . 50.0 109.71 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.85 -39.27 90.6 Favored 'General case' 0 C--O 1.197 -1.696 0 O-C-N 120.426 -1.421 . . . . 25.0 113.007 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.05 -39.92 96.16 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 118.255 -0.879 . . . . 50.0 111.208 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.96 -30.53 23.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 119.492 1.042 . . . . 50.0 111.517 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -65.38 -47.34 76.71 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 -17.5 3.71 Favored Glycine 0 C--N 1.306 -1.137 0 O-C-N 122.308 -0.245 . . . . 25.0 113.508 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -140.22 177.5 7.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 106.413 -1.699 . . . . 50.0 106.413 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 60.32 52.19 4.99 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.58 132.55 44.38 Favored Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.203 -0.998 . . . . 25.0 112.795 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.254 1.324 0 CA-C-N 115.392 -0.404 . . . . 50.0 111.476 -177.584 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.391 0 N-CA-C 119.402 2.521 . . . . 25.0 119.402 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -52.94 -40.99 38.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 121.032 -1.275 . . . . 50.0 114.243 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.9 -56.36 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.715 -0.794 . . . . 50.0 111.631 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -67.07 -26.84 66.94 Favored 'General case' 0 C--O 1.173 -2.925 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.805 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.84 -41.44 68.16 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 121.391 -0.818 . . . . 25.0 112.534 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 t -77.46 -46.0 23.91 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 112.958 0.725 . . . . 50.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.7 m -77.0 6.9 5.51 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 117.616 2.45 . . . . 25.0 117.616 -172.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -103.09 -12.97 17.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.36 -0.536 . . . . 25.0 111.076 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -154.06 -165.27 2.06 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mm -67.61 128.46 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 103.349 -2.834 . . . . 50.0 103.349 168.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -92.52 105.41 17.59 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.53 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.4 p -74.64 153.94 38.72 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 119.206 -0.997 . . . . 50.0 110.543 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.29 -27.09 63.17 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 108.552 -0.907 . . . . 50.0 108.552 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.5 -41.39 98.79 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 120.006 -0.678 . . . . 50.0 110.892 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -70.89 -41.71 70.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 108.423 -0.954 . . . . 50.0 108.423 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.01 -37.13 81.44 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 115.617 -0.719 . . . . 50.0 112.275 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -69.04 -19.02 64.09 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 117.252 -1.356 . . . . 50.0 109.882 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -70.39 -23.33 62.74 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 120.532 1.514 . . . . 50.0 112.968 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -77.09 -10.92 59.7 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.755 -0.378 . . . . 50.0 110.334 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -105.17 22.36 15.49 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 . . . . . 0 N--CA 1.491 1.578 0 C-N-CA 128.381 2.672 . . . . 50.0 111.693 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 CA--C 1.502 -0.904 0 CA-C-O 122.282 1.039 . . . . 25.0 113.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 p -73.59 137.36 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 CA-C-N 114.076 -1.42 . . . . 25.0 111.901 -172.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.56 128.7 36.67 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.995 -1.483 . . . . 50.0 106.995 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -140.34 178.06 7.56 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 119.016 -0.516 . . . . 50.0 111.17 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.91 129.11 34.36 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 104.561 -2.385 . . . . 50.0 104.561 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.87 129.79 40.83 Favored 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 104.657 -2.349 . . . . 50.0 104.657 -175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 t -157.05 171.03 21.19 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 103.907 -2.627 . . . . 50.0 103.907 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.11 -137.72 43.98 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 124.53 1.144 . . . . 25.0 113.019 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.4 p -61.41 -34.83 76.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.36 -1.671 . . . . 50.0 113.268 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.0 -35.36 78.31 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 118.752 0.705 . . . . 50.0 109.634 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.8 -51.34 69.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.864 0.84 . . . . 50.0 108.757 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.96 -38.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 115.822 -0.626 . . . . 50.0 110.051 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -58.23 -48.61 79.84 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.496 0.718 . . . . 50.0 111.722 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.42 82.89 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.328 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.97 -35.81 73.81 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 122.616 1.198 . . . . 50.0 109.321 178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.414 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 39.8 t80 -69.31 -42.43 75.42 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.97 -32.88 72.78 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.517 -1.23 . . . . 50.0 111.733 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.81 -32.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.757 0 CA-C-N 119.32 0.964 . . . . 50.0 113.214 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -148.43 7.0 0.76 Allowed 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 115.653 1.723 . . . . 25.0 115.653 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -76.06 30.58 1.34 Allowed Glycine 0 C--O 1.251 1.188 0 CA-C-O 118.312 -1.271 . . . . 25.0 115.715 -174.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.28 -33.23 70.82 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 118.6 1.2 . . . . 50.0 114.004 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -76.48 -18.48 58.74 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 116.64 0.38 Allowed Glycine 0 CA--C 1.541 1.685 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 CA--C 1.497 -1.067 0 CA-C-O 122.243 1.021 . . . . 50.0 108.552 177.211 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 117.634 1.814 . . . . 25.0 117.634 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -51.0 -41.87 23.01 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 CA-C-N 114.089 -1.055 . . . . 50.0 112.923 -176.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.1 -53.03 48.73 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.34 0 O-C-N 121.258 -0.901 . . . . 50.0 112.561 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.74 -20.39 59.84 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 120.982 -1.074 . . . . 25.0 112.316 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.91 -37.66 34.18 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 122.09 0.948 . . . . 25.0 110.219 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.56 -50.44 6.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.277 -1.514 . . . . 50.0 111.795 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.33 50.21 1.41 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 115.207 -0.906 . . . . 25.0 112.819 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -146.44 -5.94 0.56 Allowed 'General case' 0 C--O 1.26 1.608 0 CA-C-O 122.4 1.095 . . . . 25.0 111.46 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -151.96 179.42 8.48 Favored 'General case' 0 C--O 1.189 -2.128 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -72.22 128.28 34.99 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 N-CA-C 103.213 -2.884 . . . . 50.0 103.213 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -95.72 104.85 16.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -76.25 151.21 36.87 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.844 0.83 . . . . 50.0 110.695 -175.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' B' ' 31' ' ' PHE . 56.4 tp -56.62 -34.81 67.61 Favored 'General case' 0 C--O 1.186 -2.268 0 CA-C-N 115.155 -0.93 . . . . 50.0 111.864 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.36 -41.99 81.19 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 121.89 -0.506 . . . . 50.0 111.817 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.65 -38.99 28.13 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -36.73 80.13 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 124.199 0.999 . . . . 50.0 110.842 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.33 -21.85 66.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.629 0.581 . . . . 50.0 109.622 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -68.79 -18.95 64.27 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.08 -1.013 . . . . 50.0 111.467 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.33 3.53 52.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 122.552 1.168 . . . . 50.0 112.987 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -85.29 -2.22 57.83 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 123.187 1.47 . . . . 25.0 109.749 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--O 1.193 -1.869 0 C-N-CA 126.212 1.805 . . . . 50.0 113.26 175.278 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 59.2 t80 . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.75 136.35 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -77.4 106.57 9.24 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.853 -1.165 . . . . 50.0 107.853 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -144.06 -177.24 5.34 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.782 -1.199 . . . . 50.0 110.819 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.3 78.79 4.76 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.831 -0.803 . . . . 50.0 108.831 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.23 114.25 11.2 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 122.262 1.03 . . . . 50.0 108.385 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -138.94 161.91 36.18 Favored 'General case' 0 N--CA 1.421 -1.92 0 CA-C-N 115.028 -0.987 . . . . 50.0 109.398 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.93 -142.99 44.29 Favored Glycine 0 N--CA 1.416 -2.676 0 C-N-CA 120.569 -0.824 . . . . 25.0 114.68 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -68.54 -21.75 64.54 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.638 -0.425 . . . . 50.0 111.414 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -63.24 -26.62 68.87 Favored 'General case' 0 C--O 1.191 -2.015 0 N-CA-C 113.018 0.748 . . . . 50.0 113.018 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.18 -49.44 56.7 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 118.694 -0.669 . . . . 50.0 110.471 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.39 -30.13 33.84 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.879 0 CA-C-N 118.382 0.537 . . . . 50.0 110.6 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.67 -50.04 66.37 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 109.607 -0.516 . . . . 50.0 109.607 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.88 94.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.76 -1.213 . . . . 25.0 107.931 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.87 -44.51 86.67 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.049 -0.352 . . . . 50.0 110.049 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -66.85 -39.27 87.54 Favored 'General case' 0 C--O 1.204 -1.339 0 O-C-N 121.17 -0.956 . . . . 25.0 112.295 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.62 -43.0 99.91 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-O 122.033 0.921 . . . . 50.0 113.181 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.53 -28.76 14.57 Favored 'Isoleucine or valine' 0 C--O 1.25 1.088 0 CA-C-N 115.101 -0.954 . . . . 50.0 112.988 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 74.8 m -83.59 -46.14 12.71 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 118.614 -1.234 . . . . 25.0 110.523 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.65 27.31 73.92 Favored Glycine 0 C--N 1.312 -0.763 0 C-N-CA 119.667 -1.254 . . . . 25.0 112.187 -174.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.05 4.56 3.37 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 117.533 2.42 . . . . 50.0 117.533 -174.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 59.66 39.89 20.63 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 119.076 0.853 . . . . 25.0 112.243 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.96 125.63 5.43 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-N 115.102 -0.953 . . . . 25.0 113.233 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.467 0.4 0 O-C-N 118.86 -2.553 . . . . 50.0 110.044 -179.023 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.01 1 CA-C-O 128.927 4.626 . . . . 25.0 111.361 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -51.22 -44.62 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 1 CA-C-N 108.155 -4.023 . . . . 50.0 112.805 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.94 -48.16 87.37 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 -175.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -66.54 -30.5 70.82 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.172 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.68 -48.53 54.29 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 119.869 1.213 . . . . 25.0 112.237 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 m -81.42 -25.73 35.96 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.875 1.806 . . . . 50.0 115.875 -176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 t -71.29 -10.3 59.53 Favored 'General case' 0 C--O 1.268 2.052 0 CA-C-O 119.096 -0.478 . . . . 25.0 111.034 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -116.09 152.01 34.46 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 104.374 -2.454 . . . . 25.0 104.374 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m 51.5 -153.57 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.521 -0.737 . . . . 25.0 110.745 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -130.57 107.15 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.736 -0.839 . . . . 50.0 108.736 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.97 122.7 23.0 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 m -75.55 160.05 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -25.61 68.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 50.0 112.577 -176.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -63.15 -41.65 99.32 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 123.323 0.649 . . . . 50.0 110.933 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -75.91 -35.49 59.77 Favored 'General case' 0 C--O 1.195 -1.781 0 CA-C-N 115.255 -0.884 . . . . 50.0 108.855 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.28 -40.64 86.74 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.879 -0.415 . . . . 50.0 109.879 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.07 -28.81 55.17 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.808 -1.183 . . . . 50.0 113.61 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.37 -19.68 62.25 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.562 -1.336 . . . . 50.0 109.777 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -72.06 -23.61 61.39 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 121.346 -0.846 . . . . 50.0 112.148 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.25 -35.7 61.37 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 123.601 1.667 . . . . 50.0 110.069 173.72 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.505 2.289 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.18 132.27 33.37 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 O-C-N 118.978 -2.326 . . . . 25.0 113.601 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -82.24 131.43 35.23 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.27 -0.972 . . . . 50.0 110.236 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -160.69 166.87 28.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.271 -1.381 . . . . 50.0 107.271 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -59.08 141.48 53.95 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.892 -1.13 . . . . 50.0 111.365 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.83 98.39 5.79 Favored 'General case' 0 C--O 1.186 -2.245 0 CA-C-O 123.623 1.677 . . . . 50.0 113.408 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -126.47 -146.18 0.33 Allowed 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 114.615 -1.175 . . . . 50.0 108.892 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -29.08 123.32 0.08 OUTLIER Glycine 0 N--CA 1.486 1.99 0 N-CA-C 117.431 1.732 . . . . 25.0 117.431 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m 63.8 -51.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.463 1.653 . . . . 50.0 115.463 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -60.13 -39.73 87.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.974 1.101 . . . . 50.0 113.974 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.63 -54.35 44.07 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.33 -37.86 80.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.94 -46.35 78.48 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.975 -0.453 . . . . 50.0 111.676 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.02 -42.71 89.28 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 120.696 -1.252 . . . . 25.0 108.348 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.69 -45.71 77.77 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 123.321 0.648 . . . . 50.0 110.066 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.82 -44.87 94.99 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.379 -0.826 . . . . 25.0 110.693 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.49 -33.75 76.25 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.089 1.514 . . . . 50.0 115.089 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.74 -26.51 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 O-C-N 120.047 -1.658 . . . . 50.0 114.168 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 67.1 m -79.11 -56.03 4.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 120.278 -0.569 . . . . 25.0 112.337 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.3 24.79 67.76 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.01 -1.091 . . . . 25.0 115.389 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.62 -63.87 1.24 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-N 117.72 0.76 . . . . 50.0 112.151 -172.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -144.78 -32.25 0.41 Allowed 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.23 136.53 8.67 Favored Glycine 0 C--O 1.205 -1.662 0 N-CA-C 109.197 -1.561 . . . . 25.0 109.197 -170.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 C--O 1.218 -0.583 0 O-C-N 121.919 -0.754 . . . . 50.0 109.702 -176.699 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 117.101 1.6 . . . . 25.0 117.101 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.71 -35.8 57.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 124.157 0.983 . . . . 50.0 113.444 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -67.69 -52.67 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 119.527 -0.869 . . . . 50.0 111.43 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -67.81 -27.16 66.49 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.201 -0.937 . . . . 25.0 110.806 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -72.27 -47.83 47.11 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 123.635 0.584 . . . . 25.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.7 m -81.89 -18.53 43.4 Favored 'General case' 0 C--O 1.26 1.629 0 N-CA-C 115.247 1.573 . . . . 50.0 115.247 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -88.41 40.19 0.95 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.899 0.857 . . . . 25.0 111.77 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -133.29 -91.13 0.37 Allowed 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.101 -1.409 . . . . 25.0 107.737 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t -81.36 148.77 29.19 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 165.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.05 121.72 16.71 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 CA-C-N 119.128 0.876 . . . . 50.0 109.283 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.54 116.64 6.36 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -64.11 149.7 47.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.266 -1.013 . . . . 50.0 108.266 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -22.53 66.51 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 120.224 -1.548 . . . . 50.0 111.919 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -67.66 -35.42 78.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.499 -0.773 . . . . 50.0 109.927 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -79.47 -37.51 36.68 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.299 0.571 . . . . 50.0 111.751 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.21 -34.83 72.63 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 115.65 -0.705 . . . . 50.0 112.318 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.13 -33.55 67.49 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.818 0.847 . . . . 50.0 110.898 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.73 -22.79 63.35 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.746 -0.782 . . . . 50.0 111.48 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -73.7 -12.36 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.764 -1.21 . . . . 50.0 110.68 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.98 52.13 1.86 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.484 1.232 0 CA-C-N 112.899 -1.955 . . . . 50.0 113.206 -171.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 123.672 1.701 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.09 128.1 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.871 -1.143 . . . . 25.0 111.134 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -84.2 121.63 27.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.161 -1.051 . . . . 50.0 108.161 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.3 171.23 14.4 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.17 0.588 . . . . 50.0 110.436 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.86 94.53 3.91 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.16 141.68 38.05 Favored 'General case' 0 CA--C 1.49 -1.355 0 C-N-CA 119.119 -1.032 . . . . 50.0 109.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.27 -144.37 0.27 Allowed 'General case' 0 C--O 1.243 0.727 0 CA-C-N 116.305 -0.407 . . . . 50.0 110.207 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.88 141.26 5.19 Favored Glycine 0 C--O 1.213 -1.194 0 CA-C-N 115.54 -0.755 . . . . 25.0 113.823 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t 63.94 -61.34 0.17 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.458 2.022 . . . . 50.0 116.458 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -32.49 73.59 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 119.75 -1.843 . . . . 50.0 112.07 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -67.16 -38.21 85.06 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 121.019 1.736 . . . . 50.0 108.286 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.69 -35.29 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.484 -0.932 . . . . 50.0 108.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.61 -42.95 77.41 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 109.066 -0.716 . . . . 50.0 109.066 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.8 95.76 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.268 0.94 . . . . 25.0 109.533 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 tp -58.09 -43.91 87.33 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 121.792 -0.568 . . . . 50.0 110.895 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.492 -1.25 0 O-C-N 120.867 -1.145 . . . . 25.0 111.069 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.22 -31.62 70.32 Favored 'General case' 0 C--O 1.17 -3.106 0 C-N-CA 120.313 -0.555 . . . . 50.0 111.684 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 p -85.66 -31.35 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 119.572 -1.955 . . . . 50.0 112.975 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 86.4 m -70.73 -38.55 73.58 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.267 0.556 . . . . 25.0 112.325 172.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.29 82.86 Favored Glycine 0 C--O 1.216 -1.026 0 CA-C-O 122.6 1.111 . . . . 25.0 112.457 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.49 163.48 25.25 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 121.682 -0.893 . . . . 50.0 109.291 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.92 -15.65 44.7 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 114.981 1.474 . . . . 25.0 114.981 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.22 173.21 12.95 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.022 -1.281 . . . . 50.0 111.929 -178.561 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.309 0 N-CA-C 120.453 2.941 . . . . 25.0 120.453 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tt -51.28 -32.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 119.584 -2.127 . . . . 50.0 116.183 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.79 -57.94 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.864 -1.148 . . . . 50.0 111.317 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.32 -26.11 68.34 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.685 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.44 -50.22 19.27 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.54 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.96 -21.94 59.83 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 112.419 0.526 . . . . 50.0 112.419 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.4 m -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 123.647 0.592 . . . . 25.0 110.921 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -125.06 -11.9 7.01 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 122.263 1.03 . . . . 25.0 113.509 -172.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -140.32 168.9 18.71 Favored 'General case' 0 C--O 1.25 1.108 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -90.3 103.42 14.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 106.474 -1.676 . . . . 50.0 106.474 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 p -76.63 111.03 11.7 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 m -62.82 147.07 51.11 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.33 -39.03 44.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.151 0.581 . . . . 50.0 111.505 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -55.16 -40.09 70.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.407 0.622 . . . . 50.0 111.219 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -38.61 18.29 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 115.134 -0.939 . . . . 50.0 110.336 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.21 -46.71 72.54 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 112.522 0.564 . . . . 50.0 112.522 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HE2' HG21 ' B' ' 48' ' ' VAL . 4.4 mm-40 -63.96 -23.92 67.52 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.658 -0.701 . . . . 50.0 111.225 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.04 -7.7 54.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.385 -0.822 . . . . 50.0 108.908 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -83.93 -10.6 57.83 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.836 -1.172 . . . . 50.0 107.836 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -116.26 -162.58 0.85 Allowed 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.382 -1.711 . . . . 25.0 106.382 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.742 1.258 . . . . 50.0 111.344 171.559 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 124.712 2.196 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.53 114.1 42.52 Favored 'Isoleucine or valine' 0 C--N 1.386 2.167 0 O-C-N 120.426 -1.421 . . . . 25.0 110.783 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.08 126.52 33.16 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 107.155 -1.424 . . . . 50.0 107.155 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -163.84 168.81 19.08 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.729 -1.582 . . . . 50.0 106.729 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.63 145.43 55.59 Favored 'General case' 0 C--O 1.261 1.691 0 N-CA-C 105.58 -2.008 . . . . 50.0 105.58 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.31 121.84 20.66 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -158.74 165.96 33.1 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.504 -1.665 . . . . 50.0 106.504 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.62 79.9 0.07 OUTLIER Glycine 0 C--O 1.258 1.604 0 N-CA-C 116.676 1.43 . . . . 25.0 116.676 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m 60.21 -32.64 0.06 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 117.102 2.26 . . . . 50.0 117.102 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -61.34 -32.73 72.62 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 120.257 1.389 . . . . 50.0 112.12 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.47 -44.28 94.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 119.039 0.836 . . . . 50.0 111.872 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.35 -40.94 83.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -67.3 -41.6 85.12 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.407 -0.815 . . . . 50.0 108.881 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.77 94.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.03 -36.42 83.2 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 123.734 0.814 . . . . 50.0 110.136 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -69.18 -43.8 73.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.623 -1.298 . . . . 25.0 109.33 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.61 -39.51 80.83 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.868 -1.06 . . . . 50.0 112.693 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.427 HG21 ' HE2' ' A' ' 17' ' ' GLU . 9.9 p -79.7 -26.0 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 114.831 1.419 . . . . 50.0 114.831 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 95.1 m -92.23 -26.2 18.28 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.88 29.43 63.05 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 124.342 2.079 . . . . 25.0 112.906 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 165.53 25.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.398 -1.401 . . . . 50.0 110.291 -173.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.99 -36.52 64.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.827 -2.657 . . . . 25.0 103.827 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.03 150.66 5.69 Favored Glycine 0 N--CA 1.435 -1.43 0 N-CA-C 108.258 -1.937 . . . . 25.0 108.258 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.139 0.971 . . . . 50.0 111.976 179.201 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.264 0 CA-C-O 123.814 1.785 . . . . 25.0 113.556 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tt -52.56 -46.0 48.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 CA-C-N 112.268 -1.966 . . . . 50.0 111.67 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -63.46 -45.17 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 113.74 1.015 . . . . 50.0 113.74 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.51 -1.369 . . . . 25.0 112.026 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.01 -53.44 55.48 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.735 1.255 . . . . 25.0 113.663 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -72.7 -23.0 60.81 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 119.998 -1.689 . . . . 50.0 111.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -65.42 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -128.66 7.13 5.68 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.146 1.378 . . . . 25.0 112.673 -175.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -137.36 -173.1 3.38 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.454 -0.778 . . . . 25.0 112.189 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mm -83.37 -48.05 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 O-C-N 121.479 -0.763 . . . . 50.0 109.006 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m 50.2 69.68 0.59 Allowed 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 124.667 1.229 . . . . 25.0 110.133 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.7 m -69.15 168.23 14.48 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 116.043 -0.526 . . . . 50.0 110.223 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.5 tp -43.13 -44.42 5.01 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 114.551 1.315 . . . . 50.0 114.551 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -58.55 -38.78 78.53 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.004 1.113 . . . . 50.0 114.004 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -81.21 -37.12 29.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.687 -0.688 . . . . 50.0 110.06 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.11 -39.42 78.62 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 122.967 1.365 . . . . 50.0 113.618 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.25 -21.08 66.28 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 114.593 -1.185 . . . . 50.0 112.038 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.4 -22.4 61.12 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -81.93 -9.82 59.47 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 120.048 -1.657 . . . . 50.0 111.474 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -93.99 50.9 1.46 Allowed 'General case' 0 C--O 1.253 1.243 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--O 1.2 -1.534 0 CA-C-O 125.169 2.414 . . . . 50.0 110.052 -178.789 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.847 1.308 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.92 114.37 27.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -82.12 106.63 14.18 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -140.92 150.97 43.85 Favored 'General case' 0 CA--C 1.482 -1.659 0 CA-C-N 120.741 1.609 . . . . 50.0 107.426 -173.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.99 141.59 56.21 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 122.439 1.114 . . . . 50.0 108.577 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.96 127.87 29.43 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.951 0.881 . . . . 50.0 109.887 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 47.1 t -140.81 -43.61 0.39 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.297 -1.502 . . . . 50.0 111.734 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 -157.31 14.05 Favored Glycine 0 N--CA 1.431 -1.641 0 O-C-N 124.097 0.873 . . . . 25.0 111.365 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -60.54 -12.14 9.04 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 119.053 1.427 . . . . 50.0 110.357 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -56.94 -32.11 65.66 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.492 -0.755 . . . . 50.0 112.512 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.44 -57.28 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.35 1.031 . . . . 50.0 112.976 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -65.1 -27.66 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.864 0 O-C-N 121.177 -0.952 . . . . 50.0 111.817 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -71.22 -37.36 72.04 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.492 0.495 . . . . 50.0 110.461 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.98 76.96 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -33.22 74.62 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-O 122.069 0.938 . . . . 50.0 112.483 175.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -68.7 -42.47 77.72 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.165 -1.584 . . . . 25.0 108.856 172.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.72 -30.4 71.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.774 1.398 . . . . 50.0 114.774 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.93 -39.18 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 N-CA-C 115.46 1.652 . . . . 50.0 115.46 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.84 23.5 4.26 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -170.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.48 68.43 3.55 Favored Glycine 0 C--O 1.217 -0.962 0 O-C-N 120.833 -1.167 . . . . 25.0 113.525 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.53 52.56 0.8 Allowed 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.48 0.548 . . . . 50.0 112.48 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 58.22 34.55 24.23 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 124.362 1.065 . . . . 25.0 110.456 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.47 -29.28 7.53 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 116.412 1.325 . . . . 25.0 116.412 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 C--O 1.219 -0.548 0 O-C-N 120.154 -1.792 . . . . 50.0 110.88 -179.693 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.717 0 CA-C-O 122.924 1.291 . . . . 25.0 114.619 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -49.21 -47.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.356 -1.085 . . . . 50.0 112.49 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.62 -59.1 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.592 -0.692 . . . . 50.0 112.264 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -62.72 -26.34 68.63 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -71.56 -51.97 20.63 Favored 'General case' 0 C--O 1.191 -2.002 0 C-N-CA 119.663 -0.815 . . . . 25.0 109.509 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -76.01 -16.04 60.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 119.089 -2.257 . . . . 50.0 114.311 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.36 -23.95 60.27 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 121.424 -0.798 . . . . 25.0 111.539 172.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.26 -9.96 9.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.638 0.732 . . . . 25.0 112.067 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -134.59 164.4 27.59 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -95.23 116.49 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 106.025 -1.842 . . . . 50.0 106.025 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.5 m -92.14 109.02 20.37 Favored 'General case' 0 C--O 1.183 -2.428 0 CA-C-N 114.078 -1.419 . . . . 25.0 109.822 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -62.46 155.77 24.61 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 107.892 -1.151 . . . . 50.0 107.892 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -62.78 -29.65 70.86 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.705 -0.622 . . . . 50.0 110.889 173.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -59.02 -34.65 72.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.08 -0.509 . . . . 50.0 109.947 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -84.96 -40.08 17.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 50.0 112.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 -41.21 92.18 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 123.151 0.58 . . . . 50.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.31 -25.44 68.31 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.715 1.143 . . . . 50.0 113.546 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.09 -23.98 65.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.609 -0.682 . . . . 50.0 112.082 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.8 -19.52 61.32 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.665 -0.814 . . . . 50.0 110.575 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.98 12.55 23.55 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.195 0.998 . . . . 25.0 110.648 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--O 1.192 -1.956 0 CA-C-O 128.315 3.912 . . . . 50.0 108.266 178.597 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 N--CA 1.51 2.558 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.65 127.27 13.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 O-C-N 120.103 -1.623 . . . . 25.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -87.81 105.13 17.19 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.719 1.723 . . . . 50.0 110.169 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -142.53 163.52 32.6 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 107.745 -1.205 . . . . 50.0 107.745 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -67.14 145.65 55.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 104.426 -2.435 . . . . 50.0 104.426 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.62 104.71 8.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.92 0.488 . . . . 50.0 110.99 -173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.02 139.75 23.86 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.787 0.835 . . . . 50.0 110.811 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 87.47 0.26 Allowed Glycine 0 C--O 1.202 -1.851 0 N-CA-C 115.452 0.941 . . . . 25.0 115.452 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 61.55 -43.68 0.14 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.046 2.239 . . . . 50.0 117.046 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -39.55 69.93 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.628 1.344 . . . . 50.0 114.628 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.15 -53.9 52.86 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.027 1.121 . . . . 50.0 114.027 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.45 -30.18 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 121.131 -0.981 . . . . 50.0 109.533 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.53 -48.97 75.34 Favored 'General case' 0 N--CA 1.51 2.529 0 N-CA-C 108.725 -0.843 . . . . 50.0 108.725 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.93 99.11 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.888 0.475 . . . . 25.0 110.824 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.539 0.524 . . . . 50.0 109.718 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -60.35 -44.28 95.69 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 120.932 -1.105 . . . . 25.0 112.043 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.62 -34.72 78.88 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 113.233 0.827 . . . . 50.0 113.233 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -79.66 -29.9 13.32 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 119.382 -0.927 . . . . 50.0 109.103 -175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.32 -51.07 40.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.422 0.451 . . . . 25.0 111.625 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.43 24.5 65.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 119.465 -1.35 . . . . 25.0 112.058 -170.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -127.38 143.98 51.13 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 118.276 1.038 . . . . 50.0 108.958 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -98.69 16.74 21.12 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.75 26.65 10.28 Favored Glycine 0 CA--C 1.541 1.688 0 O-C-N 121.232 -0.917 . . . . 25.0 113.445 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.562 1.414 0 CA-C-N 117.859 0.83 . . . . 50.0 110.444 178.28 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.597 0 CA-C-O 126.204 3.113 . . . . 25.0 115.73 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.85 -35.19 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.005 0 O-C-N 120.242 -1.74 . . . . 50.0 111.99 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.92 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.594 0 CA-C-N 114.498 -1.228 . . . . 50.0 110.114 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.29 -32.16 64.47 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.81 -38.61 64.53 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.143 -0.481 . . . . 25.0 109.706 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -40.1 9.5 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.647 0.981 . . . . 50.0 113.647 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.06 76.78 10.21 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.126 -1.609 . . . . 25.0 109.781 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.29 -40.87 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 114.722 -1.126 . . . . 25.0 112.11 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -146.9 36.83 0.95 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.28 1.038 . . . . 25.0 112.264 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt 56.59 76.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 114.341 -1.3 . . . . 50.0 110.148 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.18 148.1 45.64 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 119.558 -0.857 . . . . 25.0 112.655 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -84.96 166.2 16.97 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 118.799 -0.619 . . . . 50.0 111.356 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.94 -28.93 68.69 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 109.284 -0.635 . . . . 75.0 109.284 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.76 -38.53 78.67 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.89 -43.37 36.05 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 123.9 0.75 . . . . 50.0 110.863 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 tp -53.41 -43.1 67.68 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.86 -19.4 65.03 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 115.295 1.591 . . . . 50.0 115.295 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.06 -23.23 67.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.854 -0.738 . . . . 50.0 110.473 172.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.93 -7.81 57.84 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.208 0.527 . . . . 50.0 110.724 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.41 40.24 1.73 Allowed 'General case' 0 C--O 1.195 -1.809 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.378 1.816 0 C-N-CA 126.769 2.028 . . . . 50.0 114.267 179.089 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 C--O 1.196 -1.733 0 CA-C-O 121.808 0.813 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 30.9 m -91.08 161.12 2.63 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.19 146.19 42.51 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -165.81 177.99 6.84 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 105.566 -2.013 . . . . 50.0 105.566 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.58 78.41 4.09 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.16 -1.587 . . . . 50.0 110.26 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.94 119.99 14.99 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.557 -0.714 . . . . 50.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.34 168.16 21.15 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 104.645 -2.354 . . . . 50.0 104.645 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.01 -133.47 12.33 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 124.121 1.956 . . . . 25.0 114.157 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -33.3 75.48 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.863 -1.375 . . . . 50.0 114.063 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -62.62 -33.95 76.04 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.144 -1.428 . . . . 50.0 107.144 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -46.59 82.64 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 119.664 1.12 . . . . 50.0 109.383 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.94 -37.93 81.48 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 N-CA-C 107.927 -1.138 . . . . 50.0 107.927 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -67.21 -50.81 59.43 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 124.945 1.403 . . . . 50.0 109.309 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.205 -1.28 0 O-C-N 121.379 -0.825 . . . . 25.0 111.146 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.07 -37.31 83.79 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.756 1.265 . . . . 50.0 111.913 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.91 -48.04 80.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.61 -42.3 99.5 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 113.005 0.743 . . . . 50.0 113.005 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.13 -35.06 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 118.472 -0.775 . . . . 50.0 111.282 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 90.2 m -77.45 -48.58 16.78 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.598 0.561 . . . . 25.0 110.757 175.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.34 -45.9 2.41 Favored Glycine 0 C--N 1.299 -1.481 0 C-N-CA 120.94 -0.648 . . . . 25.0 111.893 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.84 69.31 0.68 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.326 1.563 . . . . 50.0 112.583 -176.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.59 45.95 23.83 Favored 'General case' 0 C--O 1.193 -1.9 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.57 -29.15 53.29 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 116.746 1.459 . . . . 25.0 116.746 -170.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 107.588 -1.264 . . . . 50.0 107.588 179.133 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.647 0 CA-C-O 124.043 1.913 . . . . 25.0 113.808 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tt -51.98 -41.11 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 112.09 -2.055 . . . . 50.0 111.174 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.84 -62.06 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 CA-C-O 118.507 -0.759 . . . . 50.0 109.522 -175.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.64 -25.1 66.05 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 119.462 -0.895 . . . . 25.0 110.617 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -70.47 -55.37 9.13 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.519 -0.753 . . . . 25.0 109.422 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -71.82 -16.98 62.18 Favored 'General case' 0 CA--C 1.562 1.426 0 N-CA-C 114.361 1.245 . . . . 50.0 114.361 -177.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -73.92 -24.99 59.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 119.335 -0.364 . . . . 25.0 110.388 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -115.07 -30.56 6.32 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 m -107.42 165.67 11.23 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.221 -1.549 . . . . 25.0 110.339 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -89.05 104.8 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 105.041 -2.207 . . . . 50.0 105.041 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.2 m -74.19 115.66 13.95 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -67.46 154.34 41.61 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.665 -1.976 . . . . 50.0 105.665 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.74 -28.45 66.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.99 -44.88 94.23 Favored 'General case' 0 C--O 1.194 -1.863 0 O-C-N 125.002 1.439 . . . . 50.0 108.872 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -74.42 -34.51 63.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 121.485 -0.759 . . . . 50.0 109.386 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.77 -38.46 81.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 118.361 0.528 . . . . 50.0 110.328 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -59.43 -24.13 63.25 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 114.353 1.242 . . . . 50.0 114.353 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.05 -20.82 60.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 124.29 1.995 . . . . 50.0 111.828 -175.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -80.19 -4.3 52.51 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.368 -1.287 . . . . 50.0 110.487 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -114.58 36.91 3.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.947 1.356 . . . . 25.0 111.128 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.209 -1.027 0 C-N-CA 124.852 1.261 . . . . 50.0 112.929 -171.314 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.9 142.54 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 119.266 -2.146 . . . . 25.0 112.07 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.5 103.99 16.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.007 -1.077 . . . . 50.0 110.232 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.4 171.7 15.07 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.794 -0.567 . . . . 50.0 110.443 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.9 148.96 48.34 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 109.041 -0.726 . . . . 50.0 109.041 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.62 115.76 22.0 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 123.242 0.617 . . . . 50.0 109.52 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -131.06 -54.94 1.05 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.16 1.911 . . . . 50.0 116.16 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.91 -142.71 4.64 Favored Glycine 0 C--N 1.346 1.097 0 C-N-CA 119.196 -1.478 . . . . 25.0 112.128 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -52.71 -24.35 8.46 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 118.077 0.939 . . . . 50.0 113.428 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -57.87 -24.05 55.81 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 114.634 1.346 . . . . 50.0 114.634 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.22 -58.26 3.98 Favored 'General case' 0 C--O 1.187 -2.199 0 N-CA-C 107.791 -1.188 . . . . 50.0 107.791 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.52 -29.65 47.21 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.8 0 CA-C-O 121.053 0.454 . . . . 50.0 109.943 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.75 -46.86 77.25 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 122.395 1.093 . . . . 50.0 110.853 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.03 87.78 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.47 -0.769 . . . . 25.0 109.171 173.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -35.75 74.98 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 121.9 0.857 . . . . 50.0 112.364 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -69.68 -41.0 76.05 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.243 -0.89 . . . . 25.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.2 -39.49 89.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.177 -1.392 . . . . 50.0 110.76 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.07 -34.48 10.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.735 0 CA-C-N 119.719 1.145 . . . . 50.0 113.477 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -120.33 -17.07 8.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.927 1.454 . . . . 25.0 114.927 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.22 56.92 4.04 Favored Glycine 0 C--O 1.202 -1.851 0 C-N-CA 119.162 -1.494 . . . . 25.0 115.608 -169.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.48 -44.98 85.35 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.91 0.355 . . . . 50.0 110.289 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -87.58 -4.5 58.96 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 123.038 1.399 . . . . 25.0 110.393 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.96 148.79 18.8 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 114.859 -1.064 . . . . 25.0 110.983 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.255 1.364 0 CA-C-O 121.254 0.55 . . . . 50.0 111.986 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.284 0 N-CA-C 116.693 1.437 . . . . 25.0 116.693 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -60.65 -31.76 49.97 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.407 -0.896 . . . . 50.0 111.663 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.27 -48.69 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 119.465 -0.894 . . . . 50.0 110.612 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.95 -37.04 85.96 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -69.39 -33.75 73.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -21.32 13.89 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.347 1.24 . . . . 50.0 114.347 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.08 -22.98 63.97 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.018 -1.051 . . . . 25.0 109.816 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.7 p -105.21 149.21 26.14 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m 59.11 176.73 0.07 Allowed 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mm -91.6 129.17 42.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 N-CA-C 108.169 -1.049 . . . . 50.0 108.169 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.66 146.02 38.42 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 119.311 -0.376 . . . . 25.0 111.069 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -122.28 134.33 54.67 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 107.28 -1.378 . . . . 50.0 107.28 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.83 -32.66 73.91 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.096 -0.641 . . . . 75.0 110.211 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -52.82 -54.07 39.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 123.993 0.808 . . . . 50.0 109.519 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.17 -39.87 93.53 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.61 -0.681 . . . . 50.0 111.096 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.13 -40.72 98.4 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.635 -0.826 . . . . 50.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.23 -23.38 65.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.007 -0.677 . . . . 50.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.44 -16.43 62.38 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 118.106 -0.95 . . . . 50.0 110.745 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.31 -14.06 60.47 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.695 -0.854 . . . . 50.0 108.695 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.8 t -107.51 -59.55 1.81 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 123.899 1.809 . . . . 25.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 124.36 2.029 . . . . 50.0 109.521 -176.554 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.196 -1.745 0 CA-C-O 121.688 0.756 . . . . 25.0 112.566 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.77 140.18 46.55 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 C-N-CA 124.183 0.993 . . . . 25.0 108.854 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.07 97.4 10.71 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.37 175.27 12.41 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 122.969 1.366 . . . . 50.0 107.699 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -75.84 146.76 39.63 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 105.796 -1.927 . . . . 50.0 105.796 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.95 125.51 44.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.56 167.0 31.8 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.352 -1.351 . . . . 50.0 107.352 -176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.83 -150.12 48.64 Favored Glycine 0 C--O 1.21 -1.357 0 N-CA-C 108.93 -1.668 . . . . 25.0 108.93 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 -35.56 80.78 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.422 0.719 . . . . 50.0 112.518 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.41 -35.61 74.3 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 117.777 -1.106 . . . . 50.0 113.232 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.35 -53.01 62.38 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.729 0.643 . . . . 50.0 111.968 172.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.72 -22.66 16.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.952 0 O-C-N 121.174 -0.953 . . . . 50.0 110.06 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -75.92 -40.27 54.58 Favored 'General case' 0 C--O 1.185 -2.302 0 CA-C-N 115.114 -0.948 . . . . 50.0 111.103 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.7 95.89 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.749 -0.595 . . . . 25.0 111.879 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.13 -40.85 98.79 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 124.114 0.883 . . . . 50.0 111.447 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.16 -40.57 94.52 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.952 -1.023 . . . . 25.0 110.817 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.41 -43.77 98.3 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.673 0.669 . . . . 50.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.34 -22.58 14.37 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 117.403 -1.719 . . . . 75.0 114.74 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 24.5 t -95.57 -45.0 7.24 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.47 -3.44 82.1 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 120.464 -1.398 . . . . 25.0 114.284 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 132.34 42.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 121.291 -1.123 . . . . 50.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -83.24 -13.19 55.83 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 121.658 0.742 . . . . 25.0 110.838 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.0 42.21 3.09 Favored Glycine 0 C--O 1.207 -1.543 0 N-CA-C 115.313 0.885 . . . . 25.0 115.313 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.319 -0.756 0 O-C-N 121.066 -1.255 . . . . 50.0 111.203 179.65 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.585 ' N ' ' HE2' ' A' ' 4' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 123.863 1.813 . . . . 25.0 115.997 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 tt -47.6 -47.6 10.88 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.621 0 N-CA-C 114.797 1.406 . . . . 50.0 114.797 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.21 -47.13 82.48 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 C-N-CA 119.598 -0.841 . . . . 50.0 111.312 -173.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.585 ' HE2' ' N ' ' A' ' 1' ' ' GLY . 13.3 pt-20 -69.45 -35.28 75.51 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 118.133 -0.937 . . . . 25.0 108.842 -175.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.48 -46.2 67.21 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 120.202 1.364 . . . . 25.0 110.118 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -77.59 -13.73 59.83 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 119.859 1.209 . . . . 50.0 113.625 -175.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -84.56 -13.92 50.37 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.82 -6.46 7.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.735 -176.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -142.6 169.19 18.03 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.44 0.638 . . . . 25.0 109.676 175.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.46 93.06 4.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 123.18 1.467 . . . . 50.0 109.664 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.06 129.23 37.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.313 -1.365 . . . . 25.0 107.313 177.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -93.13 168.34 11.18 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' B' ' 31' ' ' PHE . 8.2 tt -62.68 -32.89 74.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 118.691 0.678 . . . . 50.0 109.176 175.065 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -55.82 -39.41 71.34 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.018 -0.992 . . . . 50.0 111.117 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -90.41 -35.99 14.85 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 120.803 -1.186 . . . . 50.0 111.204 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.13 -29.87 70.63 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 115.975 -0.557 . . . . 50.0 112.231 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.08 -25.31 58.52 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 114.186 1.18 . . . . 50.0 114.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.24 -22.81 65.67 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.748 -1.22 . . . . 50.0 110.09 -178.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -82.69 -2.27 53.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.515 0.509 . . . . 50.0 109.783 176.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.63 43.84 1.97 Allowed 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 125.594 2.616 . . . . 50.0 113.741 -178.509 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.488 ' CD1' HD12 ' A' ' 13' ' ' LEU . 73.3 t80 . . . . . 0 C--O 1.186 -2.261 0 CA-C-O 124.726 2.203 . . . . 25.0 112.001 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.27 114.02 44.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 119.335 -2.103 . . . . 25.0 109.784 176.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.73 137.37 39.3 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.358 -1.349 . . . . 50.0 107.358 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -159.36 169.02 24.91 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.623 -0.717 . . . . 50.0 112.039 -171.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -72.15 144.75 48.48 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 106.549 -1.649 . . . . 50.0 106.549 -178.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.27 94.76 2.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.663 -175.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 t -130.89 161.12 32.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 105.847 -1.908 . . . . 50.0 105.847 173.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.7 -144.34 46.81 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 124.024 0.827 . . . . 25.0 113.09 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -65.35 -26.47 68.04 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.312 -1.444 . . . . 50.0 111.529 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -38.27 72.35 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.617 -0.833 . . . . 50.0 111.171 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.71 -42.21 97.98 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 118.788 -0.625 . . . . 50.0 111.293 -179.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -71.83 -36.47 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 122.81 1.29 . . . . 50.0 109.779 -177.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.04 -52.32 63.3 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.304 -0.998 . . . . 50.0 108.304 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.45 86.7 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.89 -40.43 96.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.479 . . . . 50.0 109.705 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.99 -43.17 99.41 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.86 -40.01 87.72 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 112.274 0.472 . . . . 50.0 112.274 -178.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.94 -36.36 73.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 108.044 -1.095 . . . . 50.0 108.044 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 98.6 m -67.91 -31.56 71.43 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 174.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.67 -83.53 0.35 Allowed Glycine 0 C--O 1.247 0.927 0 CA-C-O 121.833 0.685 . . . . 25.0 112.248 176.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -153.03 22.91 0.57 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.224 -1.028 . . . . 50.0 108.224 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -59.7 -48.07 83.13 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 119.97 -0.692 . . . . 25.0 112.77 -173.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.69 106.52 0.25 Allowed Glycine 0 C--O 1.198 -2.113 0 N-CA-C 110.315 -1.114 . . . . 25.0 110.315 -173.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--O 1.269 2.116 0 O-C-N 120.238 -1.742 . . . . 50.0 112.535 -179.137 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.147 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt -47.96 -43.78 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.436 0.694 . . . . 50.0 112.201 -175.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.59 -53.93 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.814 -0.554 . . . . 50.0 111.691 -174.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -70.44 -27.29 64.15 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 120.086 -0.646 . . . . 25.0 109.912 -176.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -69.87 -43.19 72.38 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.669 0.747 . . . . 25.0 111.429 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.86 -30.39 26.49 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 115.853 -0.612 . . . . 50.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.16 -42.67 75.59 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 115.674 1.731 . . . . 25.0 115.674 176.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -80.44 -5.07 55.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.003 -0.544 . . . . 25.0 111.478 -172.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -137.65 166.53 23.7 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.592 0.557 . . . . 25.0 110.716 -176.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.05 123.89 26.16 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 N-CA-C 103.21 -2.885 . . . . 50.0 103.21 173.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 110.42 18.58 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.226 -178.251 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.89 143.02 51.13 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 123.917 0.76 . . . . 50.0 110.867 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.27 -47.19 86.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 121.536 -0.727 . . . . 50.0 111.313 176.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.19 -38.45 70.98 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 113.254 0.835 . . . . 50.0 113.254 -179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -73.11 -41.0 64.5 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.941 -0.474 . . . . 50.0 109.962 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.82 -29.03 69.97 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.891 0.853 . . . . 50.0 110.082 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.26 -20.35 66.38 Favored 'General case' 0 C--O 1.193 -1.884 0 CA-C-N 115.474 -0.785 . . . . 50.0 111.655 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.84 -17.85 61.01 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 121.016 -1.053 . . . . 50.0 108.386 -176.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -95.79 8.85 42.38 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 123.342 0.657 . . . . 50.0 109.703 179.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.26 124.33 19.97 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 123.231 1.491 . . . . 25.0 110.283 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.496 1.119 . . . . 50.0 111.176 -179.577 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.2 -1.518 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.6 t -79.71 128.63 38.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 105.918 -1.882 . . . . 25.0 105.918 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -109.77 138.76 45.67 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 123.366 1.555 . . . . 50.0 110.948 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.13 176.39 9.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.167 -0.924 . . . . 50.0 109.494 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -85.42 87.61 7.41 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.328 1.061 . . . . 50.0 108.428 167.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -87.11 111.42 20.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 104.952 -2.24 . . . . 50.0 104.952 -168.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 m -105.03 -82.26 0.52 Allowed 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 116.273 1.953 . . . . 50.0 116.273 -177.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.67 -94.67 2.02 Favored Glycine 0 N--CA 1.484 1.841 0 C-N-CA 119.623 -1.275 . . . . 25.0 115.11 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -57.76 -42.24 83.61 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.797 1.284 . . . . 50.0 112.617 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -57.67 -36.38 71.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 121.159 -0.963 . . . . 50.0 111.926 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.29 -51.65 50.22 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-N 118.903 0.774 . . . . 50.0 109.317 -174.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -29.22 37.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 125.355 1.659 . . . . 50.0 108.291 -175.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -71.19 -40.7 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.521 0.677 . . . . 50.0 112.597 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.73 74.56 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 121.292 -0.88 . . . . 25.0 108.663 176.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.41 -30.6 70.4 Favored 'General case' 0 N--CA 1.428 -1.535 0 O-C-N 121.372 -0.83 . . . . 50.0 111.631 176.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -63.67 -40.33 96.56 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.595 -1.316 . . . . 25.0 113.085 170.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.06 -38.08 89.79 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.804 -1.159 . . . . 50.0 109.85 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.54 -52.84 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.371 0.668 . . . . 75.0 112.063 -175.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 69.1 m -148.07 53.4 1.03 Allowed 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 120.518 -0.473 . . . . 25.0 111.13 -177.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.51 46.69 3.1 Favored Glycine 0 CA--C 1.492 -1.378 0 CA-C-N 115.85 -0.613 . . . . 25.0 114.369 175.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -48.68 69.31 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 112.874 0.694 . . . . 50.0 112.874 -171.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.79 -16.56 19.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.036 0.922 . . . . 25.0 110.144 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.98 150.81 9.64 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.732 -172.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 121.137 0.494 . . . . 50.0 111.272 -178.625 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 3.836 0 N-CA-C 119.124 2.41 . . . . 25.0 119.124 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 tt -52.64 -44.95 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 CA-C-N 114.022 -1.089 . . . . 50.0 112.755 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.98 -55.59 21.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 120.285 -1.51 . . . . 50.0 112.686 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.75 -37.41 87.27 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.312 -1.736 . . . . 25.0 106.312 -175.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 124.049 0.843 . . . . 25.0 110.76 -178.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -84.43 -17.78 38.11 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.788 1.28 . . . . 50.0 114.007 -179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.77 -43.6 16.55 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.243 -0.911 . . . . 25.0 113.03 174.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -76.07 -26.61 56.67 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.603 1.192 . . . . 25.0 111.935 -175.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -138.08 146.95 43.55 Favored 'General case' 0 CA--C 1.477 -1.858 0 N-CA-C 104.727 -2.323 . . . . 25.0 104.727 173.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.95 119.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -177.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 m -64.18 126.71 28.63 Favored 'General case' 0 C--O 1.244 0.81 0 O-C-N 121.619 -0.675 . . . . 25.0 110.133 171.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -74.61 152.85 39.19 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 119.375 -0.93 . . . . 50.0 109.002 178.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -59.11 -32.29 69.69 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.725 0.774 . . . . 50.0 111.104 -177.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.44 -39.93 95.8 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.022 1.329 . . . . 50.0 110.83 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -82.11 -27.84 32.59 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.973 -1.091 . . . . 50.0 109.075 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.27 -36.23 82.43 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.475 0.655 . . . . 50.0 111.662 179.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.7 -26.21 63.64 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.845 -1.071 . . . . 50.0 113.408 172.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -69.75 -21.09 63.48 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.712 -0.677 . . . . 50.0 110.287 -177.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.65 -6.41 59.35 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.898 -0.501 . . . . 50.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -82.17 109.62 16.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 123.596 1.665 . . . . 50.0 113.555 -177.319 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -67.13 117.39 8.2 Favored 'Isoleucine or valine' 0 C--O 1.259 1.593 0 O-C-N 120.885 -1.134 . . . . 25.0 109.131 -178.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -70.79 148.06 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.875 1.065 . . . . 50.0 113.875 -176.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -160.02 178.11 10.05 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.226 -1.027 . . . . 50.0 108.226 175.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -81.56 93.47 6.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.636 -1.616 . . . . 50.0 106.636 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.41 98.87 1.49 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.935 -1.135 . . . . 50.0 107.935 -175.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 m -139.01 167.44 22.04 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 106.61 -1.626 . . . . 50.0 106.61 177.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.49 68.18 1.81 Allowed Glycine 0 C--O 1.221 -0.682 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.218 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m 71.11 -26.03 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.81 1.411 . . . . 50.0 114.81 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -60.8 -35.49 76.61 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.894 1.072 . . . . 50.0 113.894 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.54 -51.34 69.01 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.874 0.368 . . . . 50.0 111.736 -178.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -72.67 -29.72 31.26 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-O 121.494 0.664 . . . . 50.0 109.729 -177.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -42.5 74.67 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.901 -1.124 . . . . 50.0 109.088 177.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.04 99.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.047 1.403 . . . . 25.0 109.511 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -38.36 87.63 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 113.672 -1.603 . . . . 50.0 109.047 -178.235 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.66 -37.9 85.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.859 1.059 . . . . 25.0 113.859 173.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.37 -36.74 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.343 -0.223 . . . . 50.0 111.552 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.45 -28.59 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 115.461 1.652 . . . . 50.0 115.461 -178.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.55 33.23 0.27 Allowed 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.484 0.659 . . . . 25.0 112.169 -175.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.9 -60.74 4.08 Favored Glycine 0 C--O 1.195 -2.289 0 O-C-N 120.468 -1.395 . . . . 25.0 113.436 176.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 47.11 48.77 15.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 115.71 1.745 . . . . 50.0 115.71 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 58.95 19.68 7.39 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.724 1.379 . . . . 25.0 114.724 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.84 -132.62 6.85 Favored Glycine 0 C--O 1.263 1.915 0 N-CA-C 108.872 -1.691 . . . . 25.0 108.872 173.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.162 0 N-CA-C 114.771 1.397 . . . . 50.0 114.771 178.18 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.556 0 N-CA-C 118.407 2.123 . . . . 25.0 118.407 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.1 tt -53.04 -45.58 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.251 -1.146 . . . . 50.0 112.648 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.04 -50.14 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.162 -0.961 . . . . 50.0 113.049 176.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.98 -26.1 64.86 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.612 -1.305 . . . . 25.0 110.074 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -72.24 -38.86 68.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 122.787 1.279 . . . . 25.0 112.312 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 t -93.35 -38.3 11.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.204 1.187 . . . . 50.0 114.204 -174.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -62.09 -23.32 66.44 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -86.99 -5.05 59.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.923 -178.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -138.04 -178.28 5.2 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.083 -1.011 . . . . 25.0 111.158 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 mm -89.31 114.97 28.21 Favored 'Isoleucine or valine' 0 C--O 1.258 1.512 0 N-CA-C 103.566 -2.753 . . . . 50.0 103.566 169.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 113.29 10.21 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 122.085 -0.385 . . . . 25.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 136.89 53.51 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 174.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.91 -22.99 64.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 118.863 0.756 . . . . 50.0 110.924 178.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.85 -37.21 85.57 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 122.721 1.248 . . . . 50.0 109.346 174.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.57 -37.22 60.07 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.688 -1.142 . . . . 50.0 108.4 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.25 -40.24 95.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 124.554 1.159 . . . . 50.0 109.49 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.97 -24.86 66.42 Favored 'General case' 0 C--O 1.255 1.355 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 177.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.58 -17.37 62.3 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.931 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -78.67 -4.21 47.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.652 -0.869 . . . . 50.0 108.652 175.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.3 t -152.97 56.93 0.79 Allowed 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 -173.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 126.041 2.829 . . . . 50.0 109.995 -172.335 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -125.89 148.55 30.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 CA-C-O 122.044 0.926 . . . . 25.0 108.987 -176.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -84.09 113.16 20.85 Favored 'General case' 0 C--O 1.192 -1.929 0 N-CA-C 108.566 -0.901 . . . . 50.0 108.566 173.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.36 154.44 40.9 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.268 1.032 . . . . 50.0 110.71 -175.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -77.9 68.25 3.92 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 123.551 1.643 . . . . 50.0 111.606 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.4 126.37 27.12 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.563 -1.335 . . . . 50.0 108.575 -175.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -137.04 -60.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 114.175 1.176 . . . . 50.0 114.175 -170.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 -147.55 4.07 Favored Glycine 0 C--O 1.258 1.595 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 175.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -61.51 -14.85 32.68 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.13 -1.217 . . . . 50.0 112.233 -176.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -60.57 -37.29 80.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 112.251 0.463 . . . . 50.0 112.251 171.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.46 -40.66 97.7 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 124.567 1.167 . . . . 50.0 110.951 -178.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.86 -41.25 79.63 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 122.994 1.378 . . . . 50.0 108.229 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -68.13 -38.26 82.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.392 -1.276 . . . . 50.0 112.091 -178.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.93 94.61 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.563 -1.335 . . . . 25.0 111.832 174.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.42 ' HA ' HG21 ' B' ' 48' ' ' VAL . 6.3 tt -62.93 -43.48 98.68 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 115.138 -0.937 . . . . 50.0 109.502 -179.234 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -46.23 89.8 Favored 'General case' 0 CA--C 1.499 -1.011 0 C-N-CA 119.358 -0.937 . . . . 25.0 109.855 177.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.78 -33.74 75.8 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.081 1.141 . . . . 50.0 114.081 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' B' ' 45' ' ' LEU . 22.1 m -81.65 -32.32 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 119.751 1.159 . . . . 50.0 110.978 -179.661 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.87 -49.31 12.12 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 122.302 1.049 . . . . 25.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.9 -84.71 0.68 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 121.209 -0.932 . . . . 25.0 113.919 -178.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -60.42 127.66 32.83 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.277 0.843 . . . . 50.0 113.277 -177.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 54.14 46.34 25.58 Favored 'General case' 0 C--O 1.196 -1.731 0 N-CA-C 114.069 1.137 . . . . 25.0 114.069 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.71 -168.8 10.16 Favored Glycine 0 C--O 1.214 -1.132 0 CA-C-N 115.749 -0.66 . . . . 25.0 113.296 176.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--O 1.216 -0.696 0 C-N-CA 118.489 -1.284 . . . . 50.0 113.235 -179.221 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 CA-C-O 123.469 1.594 . . . . 25.0 115.95 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -58.59 -39.95 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.466 -1.608 . . . . 50.0 112.841 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -70.44 -44.61 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.381 -0.824 . . . . 50.0 111.237 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.1 -38.21 85.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.873 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -72.11 -54.55 9.43 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.097 0.475 . . . . 25.0 110.522 179.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.9 -23.33 63.22 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 115.771 1.767 . . . . 50.0 115.771 -173.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -22.17 66.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.511 -0.875 . . . . 25.0 111.199 177.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -126.22 27.65 6.2 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.772 0.796 . . . . 25.0 109.088 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -141.98 172.31 12.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.436 0.636 . . . . 25.0 109.401 177.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.52 -42.05 25.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.509 -1.293 . . . . 50.0 107.509 175.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 m 49.0 57.4 6.49 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.754 0.788 . . . . 25.0 110.537 -173.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.36 157.1 20.66 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.921 -1.491 . . . . 50.0 110.613 -175.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.89 62.69 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -177.116 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.31 -36.78 84.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.725 0.774 . . . . 50.0 112.019 178.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -87.65 -38.74 15.63 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 177.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.57 -33.33 68.04 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 114.871 1.434 . . . . 50.0 114.871 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -63.95 -19.62 65.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.764 -0.585 . . . . 50.0 110.504 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -66.72 -25.73 66.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 120.885 -1.135 . . . . 50.0 110.208 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -77.74 -7.71 56.93 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.878 -0.514 . . . . 50.0 110.658 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.56 8.16 27.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.538 0.685 . . . . 25.0 109.616 170.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 121.917 0.865 . . . . 50.0 110.919 177.745 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 122.159 0.98 . . . . 25.0 112.704 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.85 117.43 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 123.823 1.773 . . . . 25.0 110.591 -177.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -82.05 116.98 21.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.576 -1.328 . . . . 50.0 111.749 -178.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -154.69 165.12 37.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.196 -1.779 . . . . 50.0 106.196 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -65.95 143.99 57.05 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 120.531 -0.468 . . . . 50.0 110.645 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 147.73 29.73 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.667 0.746 . . . . 50.0 112.054 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -161.65 166.23 27.1 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 106.435 -1.691 . . . . 50.0 106.435 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.07 -141.79 47.59 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 120.072 -1.061 . . . . 25.0 111.606 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -59.73 -29.03 67.85 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.618 0.97 . . . . 50.0 113.618 178.103 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -65.34 -33.72 76.63 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.24 -0.912 . . . . 50.0 109.454 -176.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.51 -52.61 51.47 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 116.118 -0.492 . . . . 50.0 109.697 -178.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.66 -26.7 31.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.082 -176.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.25 -41.18 67.07 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.465 -0.772 . . . . 50.0 111.526 175.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.06 94.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.712 -1.243 . . . . 25.0 108.564 177.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.89 -42.74 99.43 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.597 0.561 . . . . 50.0 111.421 177.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.54 -44.64 95.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 122.37 0.268 . . . . 25.0 111.321 178.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.28 -39.81 86.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.316 1.01 . . . . 50.0 111.982 -177.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.97 -42.36 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.919 0.781 . . . . 50.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.05 77.07 0.11 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-O 121.68 0.752 . . . . 25.0 110.588 177.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.92 -119.37 0.13 Allowed Glycine 0 C--O 1.22 -0.748 0 N-CA-C 119.777 2.671 . . . . 25.0 119.777 178.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 60.74 25.39 15.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.206 0.817 . . . . 50.0 113.206 -176.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -114.96 2.29 14.22 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.55 0.944 . . . . 25.0 113.55 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.5 -49.15 4.19 Favored Glycine 0 C--O 1.212 -1.233 0 C-N-CA 120.313 -0.946 . . . . 25.0 115.178 176.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 115.232 1.567 . . . . 50.0 115.232 177.009 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.378 0 N-CA-C 116.185 1.234 . . . . 25.0 116.185 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -43.37 -44.35 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.415 0 C-N-CA 125.483 1.513 . . . . 50.0 113.943 -170.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.5 -44.19 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 108.843 -0.799 . . . . 50.0 108.843 -174.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.82 -40.36 75.96 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.519 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.18 -44.87 92.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.2 -32.96 19.52 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 117.748 2.499 . . . . 50.0 117.748 -176.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.6 t -66.96 -34.83 78.63 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 -176.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -97.75 142.71 29.19 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t 53.81 45.31 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.668 1.23 . . . . 25.0 110.559 178.091 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt 0.1 99.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.253 1.269 0 CA-C-N 112.297 -2.229 . . . . 50.0 116.5 -178.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -63.47 161.23 14.76 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 110.372 -0.233 . . . . 25.0 110.372 177.058 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.6 p -87.73 151.9 22.55 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 119.125 -0.465 . . . . 50.0 112.106 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.99 -17.39 63.29 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 119.978 1.263 . . . . 50.0 111.035 178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.93 -37.27 75.86 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.849 0.833 . . . . 50.0 110.756 176.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -72.75 -44.54 61.49 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.648 -0.705 . . . . 50.0 109.302 172.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 tp -57.69 -35.17 70.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.948 0.351 . . . . 50.0 111.948 -176.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.1 -31.39 71.08 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 118.433 -0.794 . . . . 50.0 111.996 174.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -18.67 64.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.854 1.206 . . . . 50.0 111.927 178.156 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -74.61 -19.59 60.24 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 119.449 -0.9 . . . . 50.0 111.495 177.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -158.79 98.63 1.51 Allowed 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.572 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.378 1.827 0 C-N-CA 126.201 1.8 . . . . 50.0 110.742 177.237 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 123.922 1.82 . . . . 25.0 114.256 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.58 130.13 26.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -178.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -80.56 107.94 13.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.403 0.621 . . . . 50.0 109.864 176.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -152.81 172.08 17.27 Favored 'General case' 0 C--O 1.253 1.246 0 N-CA-C 106.844 -1.539 . . . . 50.0 106.844 -179.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.92 74.17 0.61 Allowed 'General case' 0 CA--C 1.558 1.285 0 O-C-N 121.223 -0.923 . . . . 50.0 112.055 175.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.98 121.48 14.76 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 119.981 -1.7 . . . . 50.0 108.685 178.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 -130.97 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.862 -1.063 . . . . 50.0 109.511 -171.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -31.61 104.76 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 116.476 1.351 . . . . 25.0 116.476 177.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.18 -44.24 0.34 Allowed 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 127.172 2.189 . . . . 50.0 116.565 -176.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -37.32 74.59 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 112.672 0.619 . . . . 50.0 112.672 -178.254 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.64 -49.68 67.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.014 -1.469 . . . . 50.0 113.503 175.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.77 -24.58 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 CA-C-N 120.085 1.312 . . . . 50.0 110.597 -178.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.22 -40.33 82.14 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 119.72 -0.792 . . . . 50.0 112.659 172.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.36 84.21 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.878 0.847 . . . . 25.0 111.872 175.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.88 -44.33 94.25 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-N 114.137 -1.392 . . . . 50.0 108.99 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.47 -40.7 97.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.155 -0.966 . . . . 25.0 109.879 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.2 -41.08 99.12 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 120.199 -0.6 . . . . 50.0 110.164 -176.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 32.6 m -80.36 -20.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 112.786 0.662 . . . . 50.0 112.786 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.8 t -96.47 -58.09 2.15 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.63 -58.74 4.99 Favored Glycine 0 N--CA 1.47 0.927 0 O-C-N 119.995 -1.69 . . . . 25.0 112.346 -173.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.43 -131.27 1.02 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.496 -0.927 . . . . 50.0 108.496 -178.428 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -119.59 29.18 7.74 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 104.21 -2.515 . . . . 25.0 104.21 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 167.7 27.41 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 106.424 -2.67 . . . . 25.0 106.424 -169.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.508 2.433 0 CA-C-N 119.472 1.636 . . . . 50.0 111.583 178.198 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.933 0 N-CA-C 117.977 1.951 . . . . 25.0 117.977 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.37 -34.23 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-O 123.186 1.47 . . . . 50.0 112.444 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.61 -54.91 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 119.038 -2.289 . . . . 50.0 110.557 177.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -28.88 63.12 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.586 -0.846 . . . . 25.0 109.878 -171.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.86 -54.59 32.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 171.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -20.51 52.58 Favored 'General case' 0 C--O 1.181 -2.538 0 C-N-CA 117.529 -1.668 . . . . 50.0 112.558 -171.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.37 -10.04 59.1 Favored 'General case' 0 C--O 1.26 1.652 0 O-C-N 121.154 -0.966 . . . . 25.0 112.615 -179.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -119.05 -10.94 9.72 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 123.61 0.569 . . . . 25.0 111.83 179.047 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -123.6 165.28 17.44 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.053 -1.029 . . . . 25.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.47 133.24 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 103.217 -2.882 . . . . 50.0 103.217 172.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.73 116.01 21.9 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.807 1.289 . . . . 25.0 111.442 -177.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.52 34.99 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.615 -1.995 . . . . 50.0 105.615 176.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.26 -31.64 71.26 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.377 0.989 . . . . 75.0 109.833 177.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.31 -43.18 96.57 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.906 -1.146 . . . . 50.0 107.906 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -75.98 -38.6 57.27 Favored 'General case' 0 N--CA 1.425 -1.688 0 C-N-CA 119.86 -0.736 . . . . 50.0 112.037 178.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -33.71 75.04 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.093 -0.379 . . . . 50.0 110.118 -177.159 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.71 -17.79 65.04 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.717 1.377 . . . . 50.0 114.717 178.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -72.85 -18.63 61.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.218 -2.176 . . . . 50.0 111.545 172.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.49 -13.79 59.84 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 123.087 1.422 . . . . 50.0 109.4 175.152 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -104.8 31.29 4.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 123.711 1.72 . . . . 25.0 109.106 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--O 1.194 -1.823 0 CA-C-O 123.711 1.72 . . . . 50.0 115.322 176.436 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.193 -1.881 0 CA-C-O 121.361 0.6 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -116.63 140.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.016 -1.677 . . . . 25.0 110.863 174.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -79.08 88.35 4.82 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 110.263 -0.273 . . . . 50.0 110.263 176.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -140.46 169.36 17.8 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.07 135.78 49.61 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.021 -2.214 . . . . 50.0 105.021 172.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -132.13 127.04 35.12 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.782 -0.574 . . . . 50.0 109.788 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -139.67 176.38 8.78 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 35.55 -124.85 0.71 Allowed Glycine 0 C--O 1.261 1.806 0 N-CA-C 116.401 1.32 . . . . 25.0 116.401 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.2 p -66.5 -30.55 70.91 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 115.35 1.611 . . . . 50.0 115.35 -174.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -69.2 -37.85 78.31 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.375 -0.828 . . . . 50.0 110.054 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.72 -48.14 67.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.225 1.194 . . . . 50.0 114.225 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.61 -26.28 23.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 118.524 -1.27 . . . . 50.0 110.129 -178.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -48.31 80.07 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.09 -0.644 . . . . 50.0 112.099 171.721 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.38 92.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.348 -0.842 . . . . 25.0 109.956 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.68 -28.39 69.04 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.449 0.907 . . . . 50.0 113.449 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.09 -35.94 66.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 119.653 -1.904 . . . . 25.0 111.254 172.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.04 -34.56 78.29 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.112 -0.992 . . . . 50.0 109.246 -177.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.36 -22.8 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.669 1.729 . . . . 50.0 115.669 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.85 15.18 1.55 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.651 1.352 . . . . 25.0 114.651 -171.687 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.21 -56.72 23.65 Favored Glycine 0 C--O 1.27 2.377 0 N-CA-C 120.004 2.762 . . . . 25.0 120.004 -175.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 39.49 -106.5 0.06 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -128.39 20.49 6.22 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 121.913 -0.492 . . . . 25.0 111.624 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.71 -71.23 1.3 Allowed Glycine 0 C--N 1.349 1.263 0 C-N-CA 119.83 -1.176 . . . . 25.0 112.387 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 CA--C 1.474 -1.948 0 N-CA-C 114.694 1.368 . . . . 50.0 114.694 -176.222 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -2.272 0 CA-C-O 123.454 1.586 . . . . 25.0 113.764 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -57.26 -32.74 41.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 119.092 -2.417 . . . . 50.0 113.895 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 121.294 1.861 . . . . 50.0 110.426 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.25 -28.45 68.06 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 119.205 -0.998 . . . . 25.0 111.991 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -65.51 -48.89 71.02 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 122.357 1.075 . . . . 25.0 110.784 175.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -78.39 -23.47 46.78 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 120.531 -1.356 . . . . 50.0 113.128 -173.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -73.45 -22.79 60.09 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.471 -0.768 . . . . 25.0 112.854 175.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -113.41 -17.42 12.25 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 114.73 1.382 . . . . 25.0 114.73 -178.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -141.74 158.33 43.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -74.41 131.84 34.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 107.538 -1.282 . . . . 50.0 107.538 -178.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 p -118.65 161.76 19.54 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 171.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -146.4 -177.72 5.78 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.246 -0.909 . . . . 50.0 108.947 177.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.06 -36.9 66.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.33 -1.795 . . . . 50.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.31 -44.68 92.53 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 120.446 1.476 . . . . 50.0 112.52 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -73.79 -40.9 63.08 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.931 0.872 . . . . 50.0 109.108 177.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.6 -39.55 94.67 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.367 -0.833 . . . . 50.0 112.362 -172.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.23 -5.81 25.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.761 -0.776 . . . . 50.0 113.028 -179.263 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -70.28 -20.08 63.06 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 107.182 -1.414 . . . . 50.0 107.182 174.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -102.29 11.42 38.17 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.099 -1.001 . . . . 50.0 110.409 -178.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -3.32 58.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.067 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.188 -2.172 1 CA-C-O 129.261 4.362 . . . . 50.0 113.122 171.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.196 -1.759 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.93 132.87 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 CA-C-O 123.258 1.504 . . . . 25.0 109.399 176.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -77.0 129.22 35.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.592 -1.318 . . . . 50.0 109.238 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -147.65 175.26 11.02 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 -179.313 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -86.83 130.8 34.32 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 103.996 -2.594 . . . . 50.0 103.996 162.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.08 143.36 50.5 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 103.842 -2.651 . . . . 50.0 103.842 176.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -165.23 66.66 0.13 Allowed 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 122.655 1.217 . . . . 50.0 113.632 -171.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.47 -153.36 25.23 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 109.582 -1.407 . . . . 25.0 109.582 -174.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -59.67 -28.28 67.14 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 117.095 2.258 . . . . 50.0 117.095 -174.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -39.45 76.05 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 119.549 -0.86 . . . . 50.0 110.078 177.315 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.68 -52.91 25.86 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 -178.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.2 -41.3 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.274 -1.01 . . . . 50.0 108.274 -178.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -69.7 -48.17 60.57 Favored 'General case' 0 N--CA 1.519 2.976 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 -175.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.34 79.29 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.304 1.05 . . . . 25.0 111.119 176.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.25 -32.99 74.39 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 114.201 -1.363 . . . . 50.0 109.604 -175.421 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.38 -41.97 72.35 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.615 0.722 . . . . 25.0 111.947 173.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -58.52 -33.92 70.39 Favored 'General case' 0 C--O 1.265 1.88 0 CA-C-O 117.861 -1.066 . . . . 50.0 111.924 178.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -96.56 -43.66 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 115.293 1.59 . . . . 50.0 115.293 177.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 14.84 14.22 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.965 -1.084 . . . . 25.0 111.918 -169.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 7.71 0.84 Allowed Glycine 0 C--O 1.205 -1.698 0 CA-C-O 116.26 -2.411 . . . . 25.0 116.529 -177.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -67.71 -29.44 68.69 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.656 1.728 . . . . 50.0 109.925 176.582 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -148.17 5.46 0.75 Allowed 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 175.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.73 -34.48 56.42 Favored Glycine 0 N--CA 1.419 -2.473 0 N-CA-C 118.706 2.242 . . . . 25.0 118.706 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.201 -1.472 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 173.716 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 123.468 1.593 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 tt -60.13 -40.84 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 O-C-N 120.632 -1.51 . . . . 50.0 108.179 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.69 -47.25 91.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.312 -0.858 . . . . 50.0 112.251 -179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.64 -13.22 56.85 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 118.993 0.815 . . . . 25.0 111.776 -177.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -81.8 -42.19 20.06 Favored 'General case' 0 C--O 1.202 -1.424 0 CA-C-N 117.718 0.236 . . . . 25.0 110.968 174.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 t -84.78 -57.45 3.11 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-O 122.047 0.927 . . . . 50.0 111.274 -176.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.44 73.2 7.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.053 -1.03 . . . . 25.0 111.222 -176.122 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -158.38 -27.62 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.734 176.606 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -146.47 39.68 1.08 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 121.849 0.833 . . . . 25.0 112.445 -175.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt 66.6 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 123.832 1.777 . . . . 50.0 112.588 -178.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.5 128.25 35.16 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 113.777 -1.556 . . . . 25.0 108.202 174.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -121.81 144.73 48.65 Favored 'General case' 0 CA--C 1.485 -1.541 0 N-CA-C 105.656 -1.979 . . . . 50.0 105.656 -174.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.12 -37.17 69.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.575 -1.193 . . . . 50.0 110.909 -176.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.38 -47.47 47.59 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.531 -0.747 . . . . 50.0 111.379 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -29.54 15.31 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.573 0.582 . . . . 50.0 112.573 -176.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -38.48 85.76 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 122.049 0.928 . . . . 50.0 113.334 177.139 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -22.34 65.5 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 121.005 -1.059 . . . . 50.0 109.928 176.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -68.17 -18.42 64.6 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.086 -1.634 . . . . 50.0 110.997 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -77.44 -0.8 27.28 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.32 -0.552 . . . . 50.0 111.204 177.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -77.8 128.58 34.23 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 121.416 0.627 . . . . 25.0 110.625 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 124.822 2.249 . . . . 50.0 112.013 174.228 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.92 133.38 66.25 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.718 0 N-CA-C 105.825 -1.916 . . . . 25.0 105.825 172.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -76.87 101.9 6.11 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.691 -1.966 . . . . 50.0 105.691 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -129.13 160.82 31.65 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 107.398 -1.334 . . . . 50.0 107.398 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -61.16 128.3 35.74 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.17 -0.956 . . . . 50.0 110.801 175.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.03 127.8 27.21 Favored 'General case' 0 C--O 1.209 -1.059 0 C-N-CA 124.46 1.104 . . . . 50.0 110.197 -178.286 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.54 164.45 37.58 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.702 0.683 . . . . 50.0 109.814 -176.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.28 -145.58 47.73 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 120.392 1.451 . . . . 25.0 112.147 172.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -57.99 -35.77 71.68 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 114.104 1.15 . . . . 50.0 114.104 179.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -60.47 -40.05 89.85 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.177 0.806 . . . . 50.0 113.177 -178.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.85 -46.88 67.35 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 123.08 1.419 . . . . 50.0 113.7 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.09 -34.03 57.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 114.526 -1.216 . . . . 50.0 109.587 -177.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.5 -41.04 73.16 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 122.391 1.091 . . . . 50.0 111.205 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.56 75.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.61 -41.37 98.94 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 122.431 0.292 . . . . 50.0 111.495 173.419 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.44 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 59.1 t80 -61.44 -40.44 94.47 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.114 -1.035 . . . . 25.0 113.004 175.104 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.23 -43.09 82.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.341 0.256 . . . . 50.0 110.755 -174.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.62 -32.58 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.641 0.588 . . . . 50.0 112.123 -177.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.22 39.57 0.01 OUTLIER 'General case' 0 CA--C 1.604 3.049 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -172.391 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -86.5 -162.97 37.79 Favored Glycine 0 C--O 1.242 0.599 0 N-CA-C 118.36 2.104 . . . . 25.0 118.36 -178.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.76 179.01 6.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.862 1.665 . . . . 50.0 114.705 -178.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.3 -16.2 64.13 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.611 1.338 . . . . 25.0 114.611 -178.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.78 0.0 79.08 Favored Glycine 0 C--O 1.184 -2.992 0 N-CA-C 116.376 1.31 . . . . 25.0 116.376 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 116.714 2.116 . . . . 50.0 116.714 -173.708 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.46 ' H2 ' ' HG2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.514 3.852 0 CA-C-O 122.24 0.911 . . . . 25.0 111.111 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -33.48 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 114.979 -0.61 . . . . 50.0 110.243 172.852 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.93 -45.65 96.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 121.914 -0.491 . . . . 50.0 111.254 -177.298 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.46 ' HG2' ' H2 ' ' A' ' 1' ' ' GLY . 14.6 pt-20 -84.81 -22.29 29.57 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.295 -177.703 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.6 -34.75 74.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.145 0.578 . . . . 25.0 111.02 175.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.12 -43.82 11.99 Favored 'General case' 0 C--O 1.258 1.549 0 CA-C-O 119.268 -0.396 . . . . 50.0 110.508 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -82.12 54.24 2.46 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -177.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -152.66 -5.65 0.21 Allowed 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.496 1.617 . . . . 25.0 109.779 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -148.41 -179.5 7.0 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.003 -1.685 . . . . 25.0 107.037 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.34 125.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 104.269 -2.493 . . . . 50.0 104.269 164.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.55 125.78 35.72 Favored 'General case' 0 CA--C 1.584 2.275 0 O-C-N 120.922 -1.111 . . . . 25.0 109.861 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -89.87 153.05 20.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 122.016 0.912 . . . . 50.0 108.651 -176.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.46 -24.97 66.51 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.395 -1.275 . . . . 50.0 107.921 174.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -66.28 -42.97 87.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 123.291 0.636 . . . . 50.0 112.601 -176.117 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.64 -31.84 28.58 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 109.263 -0.643 . . . . 50.0 109.263 177.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.38 -40.67 71.62 Favored 'General case' 0 CA--C 1.564 1.511 0 O-C-N 121.189 -0.944 . . . . 50.0 112.416 172.189 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.16 -15.09 63.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.346 1.239 . . . . 50.0 114.346 176.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -73.7 -23.08 59.76 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 119.846 -0.742 . . . . 50.0 109.854 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -84.62 -2.98 58.23 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.69 0.619 . . . . 50.0 110.089 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -108.22 21.53 17.21 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.614 -176.168 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--O 1.199 -1.59 0 CA-C-O 122.91 1.338 . . . . 50.0 110.166 -177.294 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 116.018 1.859 . . . . 25.0 116.018 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.99 89.32 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 O-C-N 120.08 -1.637 . . . . 25.0 109.838 177.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.94 101.85 9.74 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 105.12 -2.178 . . . . 50.0 105.12 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -156.5 169.67 24.11 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.18 -1.575 . . . . 50.0 107.733 -168.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.5 83.4 1.49 Allowed 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 121.743 0.783 . . . . 50.0 109.113 165.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.65 121.6 24.88 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.313 -1.366 . . . . 50.0 107.313 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.01 -178.99 6.32 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 105.093 -2.188 . . . . 50.0 105.093 -176.163 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.29 -134.92 37.07 Favored Glycine 0 C--N 1.318 -0.454 0 N-CA-C 115.528 0.971 . . . . 25.0 115.528 171.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 95.3 p -77.02 -24.84 52.1 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.764 0.826 . . . . 50.0 113.127 178.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -64.28 -26.25 68.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 121.327 -0.858 . . . . 50.0 112.653 176.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.0 -53.74 18.95 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.718 -0.674 . . . . 50.0 110.225 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.56 -35.03 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 122.053 -0.404 . . . . 50.0 111.084 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -43.3 94.77 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.267 0.839 . . . . 50.0 113.267 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.85 81.71 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -179.183 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.3 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 107.789 -1.189 . . . . 50.0 107.789 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.45 -44.39 91.26 Favored 'General case' 0 C--O 1.248 0.98 0 O-C-N 120.934 -1.103 . . . . 25.0 112.838 176.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.48 -38.78 92.21 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.66 -29.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 C-N-CA 119.272 -0.971 . . . . 50.0 110.861 177.347 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -82.73 -46.7 12.85 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 119.585 -1.947 . . . . 25.0 112.517 -175.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.19 72.71 Favored Glycine 0 C--O 1.179 -3.3 0 O-C-N 120.998 -1.064 . . . . 25.0 113.622 -174.087 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.31 -74.65 0.34 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.179 1.177 . . . . 50.0 114.179 -171.345 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -160.18 -30.66 0.06 Allowed 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.91 168.02 11.42 Favored Glycine 0 N--CA 1.478 1.482 0 CA-C-O 118.357 -1.246 . . . . 25.0 111.958 -179.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 C--O 1.267 1.994 0 O-C-N 124.343 0.673 . . . . 50.0 111.566 179.315 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.665 0 CA-C-O 122.518 1.065 . . . . 25.0 114.273 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 tt -52.75 -44.7 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.297 1.221 . . . . 50.0 114.297 -177.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.1 t -57.33 -52.55 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.09 -0.382 . . . . 50.0 111.83 176.025 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.61 -39.71 94.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.056 0.844 . . . . 25.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.78 -39.12 83.85 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 173.553 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.46 -24.25 31.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 50.0 109.86 -177.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -74.11 -39.06 63.63 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -176.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -86.33 151.24 23.74 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.236 -1.394 . . . . 25.0 107.236 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p 58.06 -172.92 0.09 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.827 -1.078 . . . . 25.0 110.777 -178.202 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.73 126.02 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 N-CA-C 107.779 -1.193 . . . . 50.0 107.779 175.064 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 116.65 27.46 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.753 -1.202 . . . . 25.0 107.753 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 p -94.29 151.59 19.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.733 -0.469 . . . . 50.0 109.733 -175.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.3 -25.25 63.24 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.101 -1.0 . . . . 50.0 108.978 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.56 -40.91 93.35 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.489 -0.757 . . . . 50.0 110.029 174.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -77.36 -37.72 51.67 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 121.736 -0.602 . . . . 50.0 111.194 177.109 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.4 -29.3 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.951 1.093 . . . . 50.0 113.951 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.72 -24.05 67.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 175.184 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.53 -23.06 67.15 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.537 1.31 . . . . 50.0 114.537 175.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -89.17 -8.81 52.92 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.195 -0.941 . . . . 50.0 109.122 -178.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.81 33.38 5.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.161 -0.927 . . . . 25.0 109.722 173.569 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.19 -2.045 0 CA-C-O 125.142 2.401 . . . . 50.0 109.742 176.045 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.843 0.83 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.56 140.17 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.701 -1.25 . . . . 25.0 108.252 174.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -80.63 98.92 7.88 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 106.911 -1.514 . . . . 50.0 106.911 175.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.86 -177.73 6.07 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-O 118.473 -0.775 . . . . 50.0 110.082 -174.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -83.77 80.32 9.18 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.011 -1.848 . . . . 50.0 106.011 176.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 117.68 18.15 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 107.035 -1.469 . . . . 50.0 107.035 -178.102 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 34.7 t -157.4 65.54 0.49 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.428 -0.806 . . . . 50.0 109.936 -166.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.93 -146.16 13.29 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -58.91 -28.85 66.6 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.0 1.4 . . . . 50.0 113.644 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -29.52 70.71 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 114.64 1.348 . . . . 50.0 114.64 176.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.75 -52.48 25.03 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.501 -0.926 . . . . 50.0 108.501 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.38 -23.36 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.15 -1.02 . . . . 50.0 111.861 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -71.75 -43.09 66.41 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 120.997 -1.064 . . . . 50.0 110.717 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.62 82.24 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 174.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.77 -45.16 86.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 119.371 -0.347 . . . . 50.0 111.239 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -59.19 -43.13 92.19 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-O 118.494 -0.765 . . . . 25.0 109.814 175.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.76 -42.27 99.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.141 -0.624 . . . . 50.0 112.293 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.44 -22.49 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 O-C-N 120.998 -1.064 . . . . 50.0 111.545 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -41.5 54.77 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 120.714 -1.241 . . . . 25.0 109.622 175.275 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.08 -75.92 0.25 Allowed Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.258 1.663 . . . . 25.0 117.258 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -149.48 1.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 117.009 2.226 . . . . 50.0 117.009 -167.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.8 -30.49 71.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -178.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.81 141.41 9.95 Favored Glycine 0 C--N 1.308 -1.02 0 N-CA-C 109.939 -1.264 . . . . 25.0 109.939 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--O 1.237 0.435 0 N-CA-C 115.644 1.72 . . . . 50.0 115.644 -179.766 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 114.256 0.462 . . . . 25.0 114.256 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.449 HD13 ' CG ' ' A' ' 19' ' ' TYR . 8.5 tt -56.9 -36.35 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 O-C-N 120.293 -1.71 . . . . 50.0 112.09 177.128 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.33 -56.53 15.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 O-C-N 120.901 -1.125 . . . . 50.0 112.253 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.5 -25.55 68.04 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.059 -1.651 . . . . 25.0 113.236 -178.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -77.71 -43.94 29.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 175.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.43 -32.98 42.94 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.004 0.907 . . . . 50.0 113.399 -174.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.3 m -64.08 -13.92 50.88 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 117.011 2.226 . . . . 25.0 117.011 -178.089 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.13 1.67 11.38 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -178.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -138.8 160.26 40.13 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.75 0.786 . . . . 25.0 111.217 -176.054 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -77.2 125.08 36.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 118.028 -1.469 . . . . 50.0 107.373 176.116 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.0 m -97.36 119.96 36.84 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 115.154 1.539 . . . . 25.0 115.154 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -82.32 156.68 24.14 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.544 -0.539 . . . . 50.0 109.544 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.77 -34.28 76.49 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.492 0.663 . . . . 50.0 110.488 176.006 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -52.19 -45.51 65.21 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 108.258 -1.016 . . . . 50.0 108.258 176.401 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 -48.28 14.13 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.486 -0.759 . . . . 50.0 111.485 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.74 -38.88 70.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 113.983 1.105 . . . . 50.0 113.983 -178.596 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.38 -19.59 65.58 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 113.665 0.987 . . . . 50.0 113.665 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -67.14 -22.06 65.8 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 120.914 0.388 . . . . 50.0 111.873 179.867 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CG ' HD13 ' A' ' 2' ' ' ILE . 98.8 m-85 -84.45 -6.46 59.38 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.306 -0.861 . . . . 50.0 111.585 177.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -89.2 -55.0 3.85 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.763 0.792 . . . . 25.0 110.698 177.166 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 C--O 1.19 -2.037 0 N-CA-C 115.328 1.603 . . . . 50.0 115.328 174.083 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 40.4 t80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 123.049 1.404 . . . . 25.0 112.767 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.46 110.92 27.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -76.33 96.18 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.667 1.223 . . . . 50.0 109.681 173.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.68 176.58 8.55 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.114 -1.403 . . . . 50.0 111.76 -170.826 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -92.83 -29.41 15.98 Favored 'General case' 0 C--O 1.191 -2.007 0 C-N-CA 124.313 1.045 . . . . 50.0 112.631 178.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt 45.72 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.914 1.45 . . . . 50.0 114.914 176.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -124.48 112.02 16.4 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.601 0.593 . . . . 50.0 112.601 -176.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.37 128.84 0.31 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 115.216 0.846 . . . . 25.0 115.216 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m 58.18 -61.79 0.03 OUTLIER 'General case' 0 N--CA 1.523 3.191 0 N-CA-C 115.671 1.73 . . . . 50.0 115.671 -174.122 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.21 -31.63 72.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.197 1.799 . . . . 50.0 114.558 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.97 -57.64 11.93 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 122.072 0.939 . . . . 50.0 111.916 175.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.88 -23.97 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -70.56 -45.37 65.55 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 121.639 0.733 . . . . 50.0 111.896 176.499 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.72 74.88 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 121.692 -0.63 . . . . 25.0 110.986 172.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -43.4 81.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.665 -1.272 . . . . 50.0 111.22 177.171 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.84 -47.27 86.41 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.231 0.923 . . . . 25.0 109.862 178.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.0 -46.06 83.0 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-N 115.185 -0.916 . . . . 50.0 109.788 -174.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.14 -31.73 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.179 -1.575 . . . . 50.0 109.73 -178.045 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.68 -33.28 58.26 Favored 'General case' 0 N--CA 1.515 2.812 0 CA-C-O 123.067 1.413 . . . . 25.0 112.288 -177.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.86 65.25 1.99 Allowed Glycine 0 N--CA 1.44 -1.082 0 O-C-N 120.39 -1.444 . . . . 25.0 112.127 -178.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 66.46 -140.69 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 113.069 -1.565 . . . . 50.0 110.879 -171.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 62.96 17.34 9.98 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.482 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.21 166.0 30.17 Favored Glycine 0 CA--C 1.476 -2.378 0 CA-C-O 116.971 -2.016 . . . . 25.0 110.092 178.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 116.542 2.052 . . . . 50.0 116.542 -179.894 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.204 0 CA-C-O 120.878 0.155 . . . . 25.0 113.172 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -59.22 -34.19 53.01 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 N-CA-C 112.713 0.634 . . . . 50.0 112.713 -176.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.23 -55.88 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.054 0 C-N-CA 118.115 -1.434 . . . . 50.0 109.843 -174.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.01 -26.16 68.73 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 118.921 -0.561 . . . . 25.0 111.665 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.09 -51.74 23.37 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 118.578 0.626 . . . . 25.0 110.901 175.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 m -68.36 -26.03 65.37 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 113.809 1.04 . . . . 50.0 113.809 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.62 -13.72 60.35 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.386 -1.446 . . . . 25.0 114.263 176.263 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -125.18 -18.15 5.49 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -131.08 156.34 45.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.586 1.155 . . . . 25.0 112.003 173.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -77.21 133.59 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 104.885 -2.265 . . . . 50.0 104.885 -178.123 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.84 84.13 2.16 Favored 'General case' 0 C--O 1.192 -1.939 0 CA-C-O 121.15 0.5 . . . . 25.0 110.063 172.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -62.99 168.29 4.13 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 119.034 -0.508 . . . . 50.0 109.646 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' ' CD2' ' B' ' 31' ' ' PHE . 2.0 tt -53.8 -34.43 59.14 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 119.407 1.003 . . . . 50.0 112.295 177.566 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -53.6 -35.7 61.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 50.0 111.784 174.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -85.03 -44.35 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.57 1.176 . . . . 50.0 109.105 -178.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.56 -32.64 67.32 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.475 -1.693 . . . . 50.0 111.705 -175.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.67 -23.09 65.85 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.92 1.082 . . . . 50.0 113.92 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.39 -26.24 60.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.881 0.764 . . . . 50.0 111.625 174.512 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -81.0 -0.33 39.12 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 114.047 1.129 . . . . 50.0 114.047 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.0 3.05 55.74 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 123.501 1.62 . . . . 25.0 110.719 171.365 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.388 2.246 0 CA-C-O 126.03 2.824 . . . . 50.0 112.279 176.106 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 33.2 t80 . . . . . 0 N--CA 1.513 2.706 0 CA-C-O 126.122 2.868 . . . . 25.0 115.989 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.67 125.59 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 CA-C-N 112.848 -1.978 . . . . 25.0 107.348 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.12 101.83 6.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 119.897 -0.721 . . . . 50.0 110.967 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.51 166.62 23.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.131 0.972 . . . . 50.0 113.405 178.095 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.73 148.26 33.11 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-O 122.843 1.306 . . . . 50.0 108.555 171.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -132.72 133.09 43.06 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.184 -1.043 . . . . 50.0 108.184 -177.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -146.68 -49.12 0.19 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.564 0.95 . . . . 50.0 113.564 -173.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.33 -132.09 6.46 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 120.978 -1.076 . . . . 25.0 112.668 -177.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -66.76 -27.18 67.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 118.516 -0.754 . . . . 50.0 111.987 -178.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -39.21 71.97 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 118.492 0.587 . . . . 50.0 110.215 177.748 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.06 -54.19 33.99 Favored 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.991 -1.068 . . . . 50.0 109.559 -178.23 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.98 -27.37 29.77 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.842 0 C-N-CA 118.981 -1.088 . . . . 50.0 113.674 -175.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.65 -52.45 51.63 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 118.284 -0.865 . . . . 50.0 112.665 168.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.41 90.85 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.001 1.273 . . . . 25.0 109.563 -177.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.87 -40.3 92.44 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 113.564 0.95 . . . . 50.0 113.564 174.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.28 -46.97 84.32 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.43 -35.98 82.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.952 -1.099 . . . . 50.0 110.482 -175.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.59 -37.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 114.856 1.428 . . . . 50.0 114.856 -175.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.53 44.13 1.51 Allowed 'General case' 0 C--O 1.25 1.079 0 C-N-CA 122.973 0.509 . . . . 25.0 112.172 -175.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.59 45.05 0.5 Allowed Glycine 0 CA--C 1.542 1.768 0 N-CA-C 119.052 2.381 . . . . 25.0 119.052 -171.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.69 -31.63 66.98 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 113.955 1.094 . . . . 50.0 113.955 -176.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -77.27 -8.99 58.52 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.324 1.05 . . . . 25.0 110.978 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -78.9 0.34 Allowed Glycine 0 C--O 1.187 -2.795 0 CA-C-O 118.043 -1.421 . . . . 25.0 115.487 174.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 123.258 1.504 . . . . 50.0 113.868 -178.692 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.355 0 N-CA-C 116.268 1.267 . . . . 25.0 116.268 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -52.11 -45.4 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 O-C-N 121.192 -1.181 . . . . 50.0 112.393 -177.077 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.88 -59.14 2.98 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-N 118.509 0.595 . . . . 50.0 111.862 -178.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.08 -20.95 65.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 118.146 -0.931 . . . . 25.0 112.481 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -73.83 -38.24 64.61 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.255 0.934 . . . . 25.0 111.538 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -45.07 14.66 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 113.949 1.092 . . . . 50.0 113.949 177.187 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.05 -0.14 1.49 Allowed 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.156 2.65 . . . . 25.0 118.156 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -124.34 124.37 42.24 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 176.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t 61.9 -178.71 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.872 0.869 . . . . 25.0 112.433 -166.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -91.52 119.85 39.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.65 166.64 11.4 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 176.901 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -142.92 171.37 14.14 Favored 'General case' 0 C--O 1.261 1.687 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 -171.36 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.06 -32.38 66.16 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 125.724 1.89 . . . . 50.0 111.305 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.86 -42.59 72.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.008 -1.451 . . . . 50.0 110.554 -178.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -85.7 -37.79 19.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -31.39 71.09 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 119.562 -0.256 . . . . 50.0 111.679 -174.135 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.06 -14.4 60.37 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 114.95 1.463 . . . . 50.0 114.95 174.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.63 -39.53 88.59 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 106.741 -1.577 . . . . 50.0 106.741 174.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.26 -10.65 57.48 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.568 -0.708 . . . . 50.0 110.529 -176.004 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.7 m -143.37 63.93 1.35 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 121.373 0.606 . . . . 25.0 111.685 -176.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.558 1.171 . . . . 50.0 111.143 -179.626 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.691 1.71 . . . . 25.0 115.173 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 106.13 19.11 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 CA-C-N 114.775 -1.102 . . . . 25.0 111.622 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.35 105.72 16.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.517 -0.765 . . . . 50.0 112.481 177.124 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -147.78 -175.72 4.98 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.754 -1.943 . . . . 50.0 105.754 -177.429 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -69.11 -29.33 67.38 Favored 'General case' 0 C--O 1.183 -2.408 0 O-C-N 121.863 -0.523 . . . . 50.0 111.615 177.259 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mp 53.38 80.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.394 0.616 . . . . 50.0 111.576 179.109 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.55 163.7 23.58 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 179.04 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.35 -142.09 42.06 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 108.374 -1.891 . . . . 25.0 108.374 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -59.11 -32.79 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.142 1.534 . . . . 50.0 115.142 178.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -57.89 -44.97 87.05 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.994 0.809 . . . . 50.0 110.018 -177.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -57.2 -51.74 68.11 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.454 0.471 . . . . 50.0 112.231 -177.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.88 -29.46 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.441 0.463 . . . . 50.0 112.039 -175.367 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -75.0 -39.63 61.09 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.163 -0.96 . . . . 50.0 113.036 176.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.4 -32.8 70.58 Favored 'General case' 0 C--O 1.268 2.046 0 CA-C-O 118.266 -0.873 . . . . 25.0 108.672 176.185 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.65 -42.34 74.36 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 118.235 -1.386 . . . . 50.0 112.538 175.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.79 -45.54 67.23 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-O 122.324 1.059 . . . . 25.0 110.886 176.829 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.36 -47.79 75.22 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.302 -1.317 . . . . 50.0 112.999 -177.001 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.4 p -75.73 -29.13 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 O-C-N 123.355 0.41 . . . . 50.0 111.078 -173.173 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -48.77 13.14 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 179.031 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 25.59 39.27 Favored Glycine 0 N--CA 1.478 1.436 0 O-C-N 123.536 0.523 . . . . 25.0 113.599 175.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -130.86 167.35 19.08 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 123.644 0.778 . . . . 50.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.06 61.24 2.57 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.419 1.088 . . . . 25.0 109.014 176.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.55 -24.19 76.29 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.035 -0.826 . . . . 25.0 111.035 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 C--N 1.305 -1.341 0 N-CA-C 106.172 -1.788 . . . . 50.0 106.172 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 CA-C-O 122.961 1.312 . . . . 25.0 115.409 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.18 -37.14 60.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.074 -1.839 . . . . 50.0 112.143 173.712 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.03 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 106.492 -1.67 . . . . 50.0 106.492 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.93 -17.95 64.03 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -174.081 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -84.73 -37.47 20.86 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.218 0.821 . . . . 25.0 113.218 178.057 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.43 -25.27 14.26 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 114.989 1.478 . . . . 50.0 114.989 -175.008 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -88.15 43.6 1.14 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.803 1.287 . . . . 25.0 110.003 -176.183 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.95 126.25 7.29 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.39 21.86 2.57 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -173.026 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 mm 33.72 100.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 C-N-CA 127.537 2.335 . . . . 50.0 114.624 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -58.82 149.81 25.65 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.42 -1.263 . . . . 25.0 112.279 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -77.0 169.17 18.83 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.283 0.845 . . . . 50.0 113.283 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.79 -29.86 70.41 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 178.726 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.79 -41.79 67.64 Favored 'General case' 0 C--O 1.193 -1.907 0 O-C-N 121.03 -1.044 . . . . 50.0 110.085 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -89.25 -33.21 17.06 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 118.579 -1.248 . . . . 50.0 108.765 177.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.77 72.06 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 113.651 0.982 . . . . 50.0 113.651 -175.703 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.6 -25.98 68.48 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.814 -1.085 . . . . 50.0 112.889 173.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.36 -27.87 68.88 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 120.616 -1.303 . . . . 50.0 109.285 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.92 -15.52 60.17 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.234 -0.916 . . . . 50.0 109.672 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -72.59 -14.46 61.62 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.886 0.741 . . . . 25.0 109.324 175.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 125.369 1.468 . . . . 50.0 114.909 -177.561 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.186 -2.288 0 CA-C-O 122.427 1.108 . . . . 25.0 113.258 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.96 127.2 65.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 178.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.9 30.04 5.82 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.477 -0.764 . . . . 50.0 111.446 -176.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 59.25 177.57 0.08 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-N 114.017 -1.447 . . . . 50.0 113.936 -178.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -92.63 86.18 5.5 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.125 -1.435 . . . . 50.0 107.125 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -117.09 142.46 46.96 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 105.904 -1.887 . . . . 50.0 105.904 -177.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 -37.5 0.32 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.512 1.133 . . . . 50.0 113.61 -178.646 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.15 -139.2 4.65 Favored Glycine 0 C--O 1.184 -2.988 0 C-N-CA 119.484 -1.341 . . . . 25.0 113.784 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.1 p -57.16 -30.56 64.57 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 123.047 1.403 . . . . 50.0 111.509 -178.364 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -58.74 -34.87 71.87 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 114.459 -1.246 . . . . 50.0 111.325 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.73 -53.48 32.93 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.784 -1.561 . . . . 50.0 106.784 -173.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.87 -21.18 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 CA-C-O 121.412 0.625 . . . . 50.0 112.137 -179.728 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.58 -44.6 50.07 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.278 -1.514 . . . . 50.0 108.772 177.448 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.13 79.75 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -178.073 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.69 -43.94 87.7 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.801 0.688 . . . . 50.0 110.143 179.3 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -55.4 -45.75 76.66 Favored 'General case' 0 C--O 1.246 0.881 0 C-N-CA 119.715 -0.794 . . . . 25.0 112.312 172.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.12 -40.27 94.27 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 114.145 1.165 . . . . 50.0 114.145 -177.235 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.2 -24.81 11.59 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 C-N-CA 119.76 -0.776 . . . . 50.0 112.821 -177.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.4 m -78.04 -38.02 45.57 Favored 'General case' 0 C--O 1.256 1.413 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.351 172.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 -88.62 0.43 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.318 -0.944 . . . . 25.0 113.628 179.07 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -160.26 127.9 4.56 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 108.859 -0.793 . . . . 50.0 108.859 -175.066 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -148.3 -113.19 0.07 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -177.262 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.4 53.23 0.42 Allowed Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 107.61 -2.196 . . . . 25.0 107.61 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 112.989 0.737 . . . . 50.0 112.989 -172.737 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.143 0 CA-C-O 123.615 1.675 . . . . 25.0 114.439 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.78 -38.84 67.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 113.669 -1.266 . . . . 50.0 112.548 -172.217 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.77 -53.22 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 119.37 -0.932 . . . . 50.0 111.216 -174.733 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.97 -31.49 71.85 Favored 'General case' 0 C--O 1.174 -2.913 0 CA-C-O 117.893 -1.051 . . . . 25.0 110.036 178.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.39 -48.47 64.62 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 119.885 1.221 . . . . 25.0 113.279 173.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -26.9 63.28 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.331 1.062 . . . . 50.0 112.844 -177.286 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.4 t -67.31 -30.39 70.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 120.9 -1.125 . . . . 25.0 113.281 177.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -96.5 -21.19 17.86 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.725 1.75 . . . . 25.0 115.725 175.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -146.13 131.81 18.91 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.128 -0.983 . . . . 25.0 109.608 174.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.84 120.49 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 119.554 1.07 . . . . 50.0 110.465 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 m -65.7 144.65 56.78 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -69.82 136.69 51.08 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.372 -1.344 . . . . 50.0 107.372 175.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -30.18 71.33 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.59 -0.694 . . . . 75.0 109.331 179.029 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.37 -37.63 84.06 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 119.03 -0.509 . . . . 50.0 111.699 177.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -84.47 -37.28 21.56 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.289 -0.964 . . . . 50.0 110.96 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.04 -35.42 71.3 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.11 -28.39 66.48 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 113.848 1.055 . . . . 50.0 113.848 176.088 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -76.02 -11.21 59.91 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.591 -0.731 . . . . 50.0 112.122 -177.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -83.25 -19.44 36.39 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.203 -1.777 . . . . 50.0 106.203 174.711 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -82.78 123.65 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 122.104 -0.372 . . . . 25.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 C--O 1.196 -1.744 0 CA-C-O 122.826 1.298 . . . . 50.0 112.012 -172.726 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 119.909 3.3 . . . . 25.0 119.909 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.69 119.73 55.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.704 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -119.25 10.73 12.09 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.69 -1.141 . . . . 50.0 108.374 -177.401 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 61.44 -179.29 0.12 Allowed 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.999 -1.455 . . . . 50.0 108.122 -167.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -92.0 -56.43 3.08 Favored 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 119.87 -0.732 . . . . 50.0 112.309 -178.182 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.01 149.46 0.05 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.84 1.256 . . . . 50.0 110.695 -173.416 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.37 43.02 0.45 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.444 -1.687 . . . . 50.0 106.444 -176.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.58 -161.58 21.42 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 107.162 -2.375 . . . . 25.0 107.162 -176.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -56.25 -19.31 13.46 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.631 0.974 . . . . 50.0 113.631 170.316 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -54.92 -27.78 45.78 Favored 'General case' 0 CA--C 1.589 2.478 0 C-N-CA 123.621 0.769 . . . . 50.0 111.076 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.3 tp -68.87 -50.35 50.55 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -67.59 -30.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.004 -1.078 . . . . 50.0 108.19 177.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.25 -40.75 97.22 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.175 -1.578 . . . . 50.0 109.119 178.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.48 -41.09 85.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 123.353 1.549 . . . . 25.0 111.023 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -37.2 81.39 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.088 -1.415 . . . . 50.0 112.697 178.243 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.68 -46.98 73.88 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.122 0.487 . . . . 25.0 112.238 173.711 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.0 -33.37 75.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.156 -0.449 . . . . 50.0 111.937 -175.128 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 12.5 p -82.05 -31.46 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 C-N-CA 119.889 -0.725 . . . . 50.0 110.986 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.26 -24.23 54.48 Favored 'General case' 0 C--O 1.192 -1.953 0 C-N-CA 119.756 -0.777 . . . . 25.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.49 -70.9 3.06 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-O 119.642 -0.532 . . . . 25.0 113.945 -179.279 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.19 4.9 0.18 Allowed 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 117.216 2.302 . . . . 50.0 117.216 -175.2 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -87.34 7.92 26.67 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.199 -0.938 . . . . 25.0 112.147 -175.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.16 160.79 32.92 Favored Glycine 0 C--O 1.198 -2.11 0 CA-C-O 118.411 -1.216 . . . . 25.0 112.301 177.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.488 1.472 0 C-N-CA 127.519 2.328 . . . . 50.0 112.075 177.953 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.72 0 CA-C-O 120.219 -0.211 . . . . 25.0 113.461 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -46.29 -54.87 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.951 0 N-CA-C 115.954 1.835 . . . . 50.0 115.954 -177.69 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.92 -32.24 33.16 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 O-C-N 119.661 -1.899 . . . . 50.0 109.841 -175.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.64 -48.51 81.37 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 106.053 -1.832 . . . . 25.0 106.053 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -66.52 -46.47 76.08 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 121.438 -0.789 . . . . 25.0 111.621 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -72.66 -18.43 61.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 118.268 -1.373 . . . . 50.0 113.588 -174.507 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.29 -25.57 36.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 173.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -102.21 -22.26 14.21 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.615 1.339 . . . . 25.0 114.615 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -136.54 162.76 32.2 Favored 'General case' 0 C--O 1.196 -1.718 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 173.379 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -86.43 128.32 39.58 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 120.698 -1.251 . . . . 50.0 110.929 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.96 108.96 21.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 172.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -82.09 168.47 17.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 112.943 0.72 . . . . 50.0 112.943 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -48.66 -45.11 38.26 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.267 1.21 . . . . 50.0 114.267 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.06 -38.24 65.03 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 177.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.17 -41.33 25.51 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.178 -0.951 . . . . 50.0 112.053 176.342 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 tp -59.68 -43.78 93.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 122.48 1.133 . . . . 50.0 111.849 -175.095 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -52.83 -33.75 50.79 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 114.707 -1.133 . . . . 50.0 112.389 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -69.89 -17.88 63.38 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.97 -1.081 . . . . 50.0 112.373 -174.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -78.78 -12.27 60.02 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.672 -1.233 . . . . 50.0 107.672 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.1 m -111.5 40.16 2.17 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.312 -1.024 0 CA-C-O 127.04 3.305 . . . . 50.0 111.511 175.013 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 C--O 1.186 -2.272 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.08 129.24 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 124.524 2.107 . . . . 25.0 110.798 -178.571 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.42 118.72 21.57 Favored 'General case' 0 C--O 1.258 1.505 0 N-CA-C 105.655 -1.98 . . . . 50.0 105.655 178.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -155.95 171.28 20.35 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 109.015 -0.735 . . . . 50.0 109.015 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.65 132.66 40.73 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.862 -1.532 . . . . 50.0 106.862 172.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.04 121.03 40.17 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -176.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 75.6 m -138.76 159.53 41.88 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 112.676 -2.056 . . . . 50.0 110.289 -172.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.2 -138.76 21.32 Favored Glycine 0 C--N 1.312 -0.798 0 CA-C-O 123.924 1.847 . . . . 25.0 113.345 -175.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -65.8 -32.1 73.43 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.095 -1.238 . . . . 50.0 111.35 -175.012 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -60.68 -31.62 70.87 Favored 'General case' 0 C--O 1.193 -1.907 0 CA-C-N 119.251 0.932 . . . . 50.0 111.027 -176.023 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 tt -66.54 -48.16 70.57 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 107.86 -1.163 . . . . 50.0 107.86 179.188 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.91 -37.69 79.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.267 -0.896 . . . . 50.0 110.179 -175.116 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.41 -37.2 84.69 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.884 -0.598 . . . . 50.0 111.467 175.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.93 74.09 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 120.498 -1.376 . . . . 25.0 111.397 173.499 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.1 -35.86 81.64 Favored 'General case' 0 CA--C 1.559 1.29 0 O-C-N 124.582 1.176 . . . . 50.0 112.143 174.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.23 -42.99 87.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.917 0.865 . . . . 25.0 112.001 173.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.54 -39.87 92.64 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.601 -1.312 . . . . 50.0 111.925 177.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.34 -28.04 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 CA-C-O 116.226 -1.845 . . . . 50.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -33.56 58.56 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 124.686 1.242 . . . . 25.0 110.918 -178.626 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.41 -103.29 2.8 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 104.448 -3.461 . . . . 25.0 104.448 -168.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.41 175.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.065 1.876 . . . . 50.0 116.065 -179.167 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.19 -27.06 13.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.651 -1.159 . . . . 25.0 109.597 178.031 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.25 1.45 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -177.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.478 0.951 0 CA-C-N 119.565 1.682 . . . . 50.0 107.443 -177.987 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.971 0 CA-C-O 126.582 3.323 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.72 -31.43 52.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 O-C-N 118.823 -2.575 . . . . 50.0 111.85 -172.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.28 -52.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.111 -0.993 . . . . 50.0 109.951 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -65.15 -25.96 67.97 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 119.446 -0.902 . . . . 25.0 108.873 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.87 -66.19 0.58 Allowed 'General case' 0 C--O 1.204 -1.296 0 O-C-N 123.899 0.75 . . . . 25.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.19 -22.66 65.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -177.341 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.45 -38.05 74.43 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 119.21 0.914 . . . . 25.0 109.668 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -97.18 -52.06 3.97 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 123.994 0.809 . . . . 25.0 111.997 -177.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.4 m -95.13 113.39 25.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.011 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.39 122.32 7.92 Favored 'Isoleucine or valine' 0 C--O 1.261 1.681 0 CA-C-O 121.51 0.672 . . . . 50.0 110.114 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.22 159.7 15.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 174.795 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -132.03 164.17 26.81 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.437 -1.69 . . . . 50.0 106.437 -172.128 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -52.66 -42.57 64.83 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 117.573 -1.203 . . . . 50.0 111.474 -173.113 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.73 -46.52 74.25 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 118.609 0.64 . . . . 50.0 110.775 -178.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -74.88 -40.23 61.06 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 121.092 -1.005 . . . . 50.0 111.596 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.29 -42.06 90.4 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.987 -0.746 . . . . 50.0 108.987 -175.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.7 -32.43 70.5 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -64.58 -16.02 61.99 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 121.076 -1.015 . . . . 50.0 112.606 -176.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.93 -19.64 51.29 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 50.0 112.121 177.343 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.17 28.47 5.26 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.366 -1.288 . . . . 25.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 C--N 1.394 2.501 0 CA-C-O 127.075 3.321 . . . . 50.0 112.884 174.3 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.714 0.769 . . . . 25.0 112.536 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.8 116.83 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.547 178.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -81.0 100.7 9.1 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.363 -1.347 . . . . 50.0 107.363 -178.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -136.41 165.09 26.62 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.15 -1.594 . . . . 50.0 109.422 -178.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.57 67.84 1.56 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.483 1.29 . . . . 50.0 114.483 173.87 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.36 125.83 27.9 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.789 -1.189 . . . . 50.0 107.789 177.192 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -146.8 161.63 40.26 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 103.814 -2.662 . . . . 50.0 103.814 -171.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.96 -150.93 50.97 Favored Glycine 0 C--O 1.255 1.466 0 O-C-N 120.536 -1.352 . . . . 25.0 115.925 -178.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.4 p -59.86 -34.14 72.73 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.521 1.128 . . . . 50.0 112.674 174.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -58.15 -44.63 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 50.0 110.351 -178.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.22 -50.43 73.6 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.978 0.733 . . . . 50.0 112.978 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.74 -23.01 17.54 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.396 -0.922 . . . . 50.0 110.772 -176.205 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -75.17 -36.92 61.45 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 177.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.8 -44.02 86.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.432 1.11 . . . . 25.0 109.739 177.2 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.44 -37.14 86.48 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.876 -1.511 . . . . 50.0 110.586 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.57 -46.31 90.43 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.49 -1.381 . . . . 25.0 114.232 173.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.23 -38.81 92.63 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.447 1.092 . . . . 50.0 112.066 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.58 -37.59 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 N-CA-C 114.98 1.474 . . . . 50.0 114.98 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -165.42 71.65 0.17 Allowed 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.106 -0.997 . . . . 25.0 109.897 175.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.07 -88.66 0.06 OUTLIER Glycine 0 CA--C 1.554 2.512 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 179.663 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 51.52 17.29 0.54 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 118.462 2.764 . . . . 50.0 118.462 175.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -125.96 -7.71 6.63 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 116.723 2.12 . . . . 25.0 116.723 -177.262 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.45 39.17 4.81 Favored Glycine 0 C--O 1.217 -0.922 0 C-N-CA 120.392 -0.908 . . . . 25.0 111.691 177.102 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.489 1.479 0 CA-C-N 117.998 0.899 . . . . 50.0 112.544 178.314 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 N-CA-C 115.331 0.892 . . . . 25.0 115.331 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.5 tt -67.41 -27.13 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.414 -1.639 . . . . 50.0 112.751 -178.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.37 -44.54 80.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.47 -1.308 . . . . 50.0 107.47 -177.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.25 -29.54 61.73 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 123.881 0.738 . . . . 25.0 112.135 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -65.1 -43.75 91.06 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.59 -55.91 5.21 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 117.81 -1.556 . . . . 50.0 109.07 -178.529 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -54.23 -46.11 72.47 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.233 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -71.61 145.63 48.87 Favored 'General case' 0 C--O 1.181 -2.525 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -173.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 50.32 -134.4 1.52 Allowed 'General case' 0 C--O 1.265 1.871 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.218 -173.772 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.99 127.77 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.895 0 C-N-CA 122.956 0.502 . . . . 50.0 111.78 -173.098 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.19 142.16 31.39 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 123.755 0.822 . . . . 25.0 110.507 174.389 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -120.68 158.44 27.44 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.68 -26.34 67.97 Favored 'General case' 0 N--CA 1.424 -1.737 0 O-C-N 124.185 0.928 . . . . 50.0 112.712 177.023 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.51 -47.56 66.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 -178.464 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.57 -40.34 91.31 Favored 'General case' 0 C--O 1.184 -2.357 0 CA-C-N 115.008 -0.996 . . . . 50.0 111.24 174.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -47.27 83.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 121.517 -0.74 . . . . 50.0 112.762 -175.8 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.17 -25.87 67.15 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 124.477 1.11 . . . . 50.0 109.238 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.15 -10.48 59.42 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.356 -0.84 . . . . 50.0 111.147 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.1 -17.96 61.95 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-O 121.674 0.749 . . . . 50.0 109.233 170.696 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.95 58.59 0.85 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.217 -0.902 . . . . 25.0 110.946 173.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.499 2.013 0 O-C-N 125.93 2.019 . . . . 50.0 114.762 176.78 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 123.667 1.699 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.3 137.83 55.87 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 179.334 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -85.48 123.05 30.48 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.421 -0.809 . . . . 50.0 110.027 175.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.02 176.81 8.51 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 124.889 1.276 . . . . 50.0 111.225 -171.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.2 54.93 1.13 Allowed 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 118.332 0.515 . . . . 50.0 111.623 175.076 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.14 120.65 19.06 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.261 -1.755 . . . . 50.0 106.261 -175.572 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 t -156.09 172.95 17.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.115 -2.18 . . . . 50.0 105.115 175.479 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.71 -135.15 47.04 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-O 122.568 1.093 . . . . 25.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 86.1 p -62.1 -34.06 75.62 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 113.132 -1.534 . . . . 50.0 112.312 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -72.2 -28.23 63.06 Favored 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 119.985 -0.686 . . . . 50.0 111.657 -175.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.5 -51.67 58.33 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.835 -1.078 . . . . 50.0 110.705 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -34.71 71.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 124.01 0.819 . . . . 50.0 111.4 177.849 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.9 -48.13 83.22 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.88 0.764 . . . . 50.0 111.345 177.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.21 91.08 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.793 178.079 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.21 -42.4 93.54 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.457 0.54 . . . . 50.0 112.457 178.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -62.06 -41.01 97.7 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 121.85 -0.531 . . . . 25.0 110.262 175.614 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.64 -35.66 79.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 117.851 -1.071 . . . . 50.0 109.402 -177.657 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.89 -29.56 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -115.41 -31.71 5.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.182 1.549 . . . . 25.0 115.182 -171.391 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.83 -82.51 1.2 Allowed Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.465 1.346 . . . . 25.0 116.465 175.162 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 57.45 -159.88 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.83 1.652 . . . . 50.0 112.09 -176.517 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -79.33 2.88 19.89 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.839 1.304 . . . . 25.0 110.092 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.35 160.32 35.83 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 114.351 -1.295 . . . . 25.0 110.92 -172.666 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.347 0.478 0 O-C-N 121.166 -1.196 . . . . 50.0 112.079 -177.877 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.314 0 CA-C-O 124.983 2.435 . . . . 25.0 117.341 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -56.92 -40.82 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 111.881 -2.16 . . . . 50.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.73 -52.0 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 109.083 -0.71 . . . . 50.0 109.083 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -48.92 62.51 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.447 176.466 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -62.6 -55.08 30.42 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.726 0.694 . . . . 25.0 111.948 -179.145 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -76.32 -16.84 59.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.614 1.338 . . . . 50.0 114.614 -176.316 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -86.43 -41.57 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 119.564 1.074 . . . . 25.0 111.565 178.418 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -79.2 -17.76 54.26 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -175.518 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -144.31 155.03 43.64 Favored 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.498 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.72 119.14 28.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 105.922 -1.881 . . . . 50.0 105.922 -176.289 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.19 157.88 16.57 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.885 -1.507 . . . . 25.0 108.765 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -130.65 176.15 8.42 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.656 -1.609 . . . . 50.0 106.656 -175.339 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.12 -31.91 65.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.521 -1.362 . . . . 50.0 112.587 -176.275 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.03 -48.25 73.67 Favored 'General case' 0 CA--C 1.487 -1.466 0 C-N-CA 122.288 0.235 . . . . 50.0 111.426 177.628 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -76.57 -42.82 41.3 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 119.509 -0.877 . . . . 50.0 110.816 175.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.08 -35.23 78.04 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 115.471 1.656 . . . . 50.0 115.471 -169.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.49 -20.59 64.74 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 118.26 -0.876 . . . . 50.0 111.783 174.846 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.57 -22.87 66.73 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 120.645 1.566 . . . . 50.0 110.564 177.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -79.98 -9.86 59.72 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-O 122.723 1.249 . . . . 50.0 112.768 179.591 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -116.47 43.54 2.19 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-N 113.817 -1.538 . . . . 25.0 109.561 175.478 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 C--O 1.198 -1.633 0 CA-C-O 125.27 2.462 . . . . 50.0 112.044 175.254 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 t80 . . . . . 0 C--O 1.191 -2.017 0 CA-C-O 123.455 1.598 . . . . 25.0 113.48 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -127.19 131.46 70.64 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.483 -1.386 . . . . 25.0 114.546 173.809 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -84.78 107.52 16.99 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-N 114.771 -1.104 . . . . 50.0 112.584 -179.077 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -155.12 172.04 18.79 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 104.982 -2.229 . . . . 50.0 104.982 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -76.4 143.92 40.34 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.087 0.858 . . . . 50.0 111.786 177.235 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -125.42 92.11 3.55 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 108.783 -0.821 . . . . 50.0 108.783 -172.846 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -97.48 -54.95 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.544 1.313 . . . . 50.0 114.544 -174.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.47 -90.94 0.53 Allowed Glycine 0 C--N 1.345 1.059 0 CA-C-N 113.01 -1.905 . . . . 25.0 111.126 -175.154 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.3 91.44 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 113.536 0.939 . . . . 50.0 113.536 -178.668 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -59.29 -39.22 82.29 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 122.61 0.364 . . . . 50.0 110.253 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.64 -54.85 37.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.558 -1.201 . . . . 50.0 108.067 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.41 HG12 ' CE1' ' B' ' 54' ' ' PHE . 63.8 t -58.36 -44.13 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.452 0 CA-C-O 120.724 0.297 . . . . 50.0 111.263 -179.239 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.11 -52.26 66.11 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 124.975 1.422 . . . . 50.0 111.299 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.78 79.16 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 -173.717 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.24 -40.71 86.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 -177.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -66.59 -37.03 84.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 123.704 0.628 . . . . 25.0 110.199 176.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -69.97 -30.03 67.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.323 0.51 . . . . 50.0 110.139 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.77 -50.55 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-O 121.255 0.55 . . . . 50.0 112.0 179.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 12.71 3.14 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 114.44 1.274 . . . . 25.0 114.44 -168.491 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.71 -58.51 10.13 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 117.037 1.575 . . . . 25.0 117.037 -167.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.24 -134.49 1.21 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-O 117.849 -1.072 . . . . 50.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.38 -0.23 55.01 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.556 1.169 . . . . 25.0 111.206 175.627 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.57 -27.28 67.77 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 119.234 2.454 . . . . 25.0 119.234 -174.238 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' B' ' 42' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.802 0 N-CA-C 113.714 1.005 . . . . 50.0 113.714 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.887 0 CA-C-O 126.053 3.03 . . . . 25.0 114.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -59.42 -33.6 51.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 112.44 -1.88 . . . . 50.0 113.761 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.13 -52.0 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.296 -1.001 . . . . 50.0 108.296 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.68 -35.96 82.72 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -61.29 -55.7 28.85 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -44.04 90.61 Favored 'General case' 0 CA--C 1.563 1.469 0 O-C-N 122.044 -0.41 . . . . 50.0 111.507 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.76 -14.26 20.2 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.189 -0.91 . . . . 25.0 113.407 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.3 p -116.61 -20.68 9.48 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -136.27 121.18 18.71 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.428 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mm -56.25 123.78 8.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.016 -0.538 . . . . 50.0 111.0 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.3 112.12 17.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 124.389 1.056 . . . . 25.0 113.075 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 146.79 50.7 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 106.229 -1.767 . . . . 50.0 106.229 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.22 -38.37 68.35 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 113.554 0.946 . . . . 50.0 113.554 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -57.18 -41.37 79.16 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.372 -0.83 . . . . 50.0 110.108 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -76.28 -42.05 46.82 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 121.479 0.657 . . . . 50.0 111.182 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.79 -38.61 91.72 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.85 -31.98 71.4 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 115.617 -0.719 . . . . 50.0 110.58 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.26 -19.71 65.57 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.162 -1.015 . . . . 50.0 112.828 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -79.18 -20.31 48.74 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 121.354 -0.841 . . . . 50.0 112.416 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -157.12 118.18 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 123.102 1.429 . . . . 25.0 110.71 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--O 1.198 -1.619 0 CA-C-O 123.718 1.723 . . . . 50.0 112.47 178.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 CA--C 1.461 -2.473 0 CA-C-O 122.254 1.026 . . . . 25.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -89.82 128.99 41.46 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 CA-C-O 124.033 1.873 . . . . 25.0 106.129 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.94 102.77 8.46 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.201 -1.818 . . . . 50.0 106.41 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -132.73 169.6 16.46 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -74.4 -27.15 60.5 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.418 0.896 . . . . 50.0 113.418 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt 45.22 86.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 114.704 1.372 . . . . 50.0 114.704 175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -92.85 154.89 17.97 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.479 -0.763 . . . . 50.0 112.313 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.97 -131.19 48.49 Favored Glycine 0 CA--C 1.548 2.098 0 N-CA-C 115.772 1.069 . . . . 25.0 115.772 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.8 m -66.25 -31.26 71.96 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 123.946 0.898 . . . . 50.0 111.735 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -58.29 -35.48 71.87 Favored 'General case' 0 C--O 1.208 -1.081 0 O-C-N 121.424 -0.797 . . . . 50.0 110.918 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.01 -48.3 74.41 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.612 0.968 . . . . 50.0 113.612 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.22 -28.55 23.31 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.747 0 O-C-N 120.432 -1.418 . . . . 50.0 110.191 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.09 -46.09 68.63 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 117.241 -1.361 . . . . 50.0 108.059 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.01 86.08 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.664 1.12 . . . . 25.0 109.576 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.57 -36.16 80.4 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-O 121.284 0.564 . . . . 50.0 110.351 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.15 -40.64 90.74 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.061 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.73 -43.49 96.33 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.019 0.824 . . . . 50.0 109.592 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.21 -31.16 11.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 113.778 1.029 . . . . 50.0 113.778 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -79.79 -38.39 33.15 Favored 'General case' 0 C--O 1.195 -1.789 0 O-C-N 121.067 -1.021 . . . . 25.0 108.436 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.48 90.93 0.36 Allowed Glycine 0 N--CA 1.423 -2.181 0 CA-C-O 121.231 0.351 . . . . 25.0 112.495 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.48 167.64 0.17 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.714 1.376 . . . . 50.0 114.714 174.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 56.93 47.09 18.4 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 114.516 -1.22 . . . . 25.0 112.162 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 127.48 1.64 Allowed Glycine 0 CA--C 1.497 -1.06 0 N-CA-C 107.492 -2.243 . . . . 25.0 107.492 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 68.78 123.66 0.03 OUTLIER 'General case' 0 C--N 1.353 0.719 0 O-C-N 125.767 1.51 . . . . 50.0 111.336 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -140.76 68.75 1.34 Allowed 'General case' 0 C--O 1.187 -2.22 0 O-C-N 120.623 -1.298 . . . . 50.0 110.161 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -147.77 137.67 22.73 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -141.75 136.48 15.38 Favored Pre-proline 0 C--O 1.253 1.275 0 CA-C-N 114.142 -1.39 . . . . 25.0 108.46 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -77.02 156.93 34.34 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 118.053 -0.832 . . . . 25.0 112.618 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -138.89 33.61 2.18 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 123.925 1.821 . . . . 50.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.236 0 CA-C-O 123.746 1.736 . . . . 25.0 110.131 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 125.024 2.458 . . . . 25.0 113.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -52.65 -44.04 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 112.646 -1.777 . . . . 50.0 111.216 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.33 -52.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.876 -0.515 . . . . 50.0 111.226 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.88 -26.49 64.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.45 -0.5 . . . . 25.0 112.114 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -73.63 -39.46 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.595 -0.442 . . . . 25.0 111.199 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -32.27 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.983 1.105 . . . . 50.0 113.983 -176.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.1 m -72.19 -1.86 16.63 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 p -107.9 -5.94 16.92 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.312 0.486 . . . . 25.0 112.312 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -150.64 -170.01 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 -174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.69 138.12 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.224 -2.139 . . . . 50.0 105.224 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.2 m -103.73 151.52 22.92 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.98 151.16 49.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.788 0.435 . . . . 50.0 110.839 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -58.09 -36.33 72.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 50.0 112.141 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.48 -39.36 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.438 0.637 . . . . 50.0 111.378 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -87.7 -36.78 17.2 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.98 -0.45 . . . . 50.0 110.349 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.4 -38.66 71.82 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.038 0.447 . . . . 75.0 111.174 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -60.88 -24.97 66.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.051 0.76 . . . . 50.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.35 -28.23 68.5 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.99 2.75 48.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.99 0.424 . . . . 50.0 111.327 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.93 10.49 32.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 122.349 1.071 . . . . 25.0 109.549 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 p30 . . . . . 0 C--O 1.216 -0.68 0 CA-C-O 123.725 1.726 . . . . 50.0 111.737 177.274 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.69 146.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.24 123.4 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.289 -1.374 . . . . 50.0 107.289 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -145.89 154.52 42.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 50.0 110.198 -168.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -74.6 120.69 20.5 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.987 -1.486 . . . . 50.0 106.987 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.21 120.54 33.47 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 48.6 t -155.26 157.31 37.07 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.229 -1.026 . . . . 50.0 108.229 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.94 -145.23 49.16 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 111.159 -0.777 . . . . 25.0 111.159 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p -58.55 -29.82 66.64 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 122.628 -0.336 . . . . 50.0 111.866 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.76 -32.49 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.172 0.434 . . . . 50.0 112.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.09 -47.67 60.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 50.0 109.007 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.75 -39.13 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.201 0.524 . . . . 50.0 110.166 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.42 -40.41 85.53 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.917 -0.489 . . . . 50.0 111.638 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.99 91.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.58 -41.09 96.5 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.232 -0.44 . . . . 50.0 110.55 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -60.34 -45.21 94.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.873 0.368 . . . . 25.0 111.272 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.33 -35.08 75.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.875 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.0 -30.44 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.37 -0.532 . . . . 50.0 111.336 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.25 -44.36 25.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.649 -0.657 . . . . 25.0 110.66 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.48 5.13 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 116.14 1.216 . . . . 25.0 116.14 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.49 -0.17 28.41 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 50.95 33.03 8.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 116.871 2.174 . . . . 25.0 116.871 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.59 27.8 15.46 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 115.419 0.928 . . . . 25.0 115.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.39 -23.12 30.22 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.902 2.186 . . . . 50.0 116.902 -171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.25 112.91 8.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -146.78 143.24 28.51 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.63 152.74 53.57 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 104.356 -2.461 . . . . 25.0 104.356 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.17 142.73 42.46 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 116.131 -2.113 . . . . 25.0 109.798 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -125.93 73.99 1.39 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 121.074 0.464 . . . . 50.0 111.962 -176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.201 -1.451 0 CA-C-O 123.796 1.76 . . . . 25.0 112.279 179.028 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.71 0 CA-C-O 124.807 2.337 . . . . 25.0 112.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -45.85 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 112.452 -1.874 . . . . 50.0 111.736 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.71 -48.74 74.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 122.057 -0.402 . . . . 50.0 111.283 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.91 -35.17 79.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.994 -0.682 . . . . 25.0 110.053 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -61.16 -51.21 70.02 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 110.62 -0.141 . . . . 25.0 110.62 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -72.85 -26.46 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.03 -48.06 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.793 -0.567 . . . . 25.0 112.294 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.5 p -84.15 -38.5 20.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 25.0 112.206 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -113.21 168.77 9.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -88.71 116.62 30.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 105.828 -1.916 . . . . 50.0 105.828 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -93.74 122.84 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -71.6 156.39 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.47 -0.787 . . . . 50.0 109.764 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.42 -28.69 65.48 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 111.519 0.192 . . . . 75.0 111.519 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -64.21 -40.97 97.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 50.0 110.36 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -72.18 -39.91 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.662 -0.866 . . . . 50.0 108.662 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.885 0.374 . . . . 50.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.18 -26.43 67.71 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 111.891 0.33 . . . . 50.0 111.891 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -70.82 -16.32 62.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.681 -0.408 . . . . 50.0 110.356 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -87.05 -5.83 58.92 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.607 0.241 . . . . 50.0 111.188 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.18 97.1 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 125.522 1.529 . . . . 50.0 112.79 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 122.63 1.205 . . . . 25.0 113.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.5 t -117.9 119.28 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.522 -0.736 . . . . 25.0 109.587 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -75.04 106.16 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.55 172.17 14.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.97 -0.381 . . . . 50.0 109.97 -174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -80.07 139.68 36.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.651 -1.24 . . . . 50.0 107.651 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.7 121.65 25.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.981 0.42 . . . . 50.0 110.481 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -126.99 -159.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.844 -0.798 . . . . 50.0 108.844 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.44 135.03 1.67 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m 65.04 -49.55 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.44 1.644 . . . . 50.0 115.44 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -63.92 -40.13 95.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.676 -0.64 . . . . 50.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -65.3 -43.37 91.29 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.5 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.33 -43.84 98.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -66.49 -43.51 85.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.694 0.283 . . . . 50.0 110.946 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.03 97.2 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -35.15 79.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.903 0.335 . . . . 50.0 111.903 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.8 -45.34 93.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.77 -37.26 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.82 0.304 . . . . 50.0 111.82 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.36 -42.26 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.095 0.474 . . . . 50.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -40.94 24.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.72 -74.06 0.46 Allowed Glycine 0 C--O 1.221 -0.66 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.38 -34.69 68.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 115.787 1.773 . . . . 50.0 115.787 -168.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.26 24.49 1.6 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.84 110.67 3.7 Favored Glycine 0 C--O 1.216 -1.011 0 CA-C-O 118.927 -0.929 . . . . 25.0 111.843 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 67.45 130.81 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.801 1.408 . . . . 50.0 114.801 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -109.64 36.28 3.03 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.353 -0.839 . . . . 50.0 112.414 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.1 t80 56.56 116.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 118.023 2.601 . . . . 25.0 118.023 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.6 108.52 15.84 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.541 -0.724 . . . . 25.0 110.408 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.29 149.26 21.76 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 117.222 -1.385 . . . . 25.0 112.57 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -83.45 90.0 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.208 -1.109 0 CA-C-O 122.53 1.157 . . . . 25.0 112.607 179.456 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.984 0 CA-C-O 123.696 1.72 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.3 tt -57.42 -32.98 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 119.302 -2.293 . . . . 50.0 112.1 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.41 -46.98 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.195 -0.602 . . . . 50.0 112.029 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.53 -33.63 76.38 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -66.22 -52.53 46.97 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.83 -0.544 . . . . 25.0 110.294 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.1 m -68.41 -21.98 64.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -87.49 -43.43 12.05 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 120.873 -1.142 . . . . 25.0 113.913 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -80.45 -27.73 37.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 25.0 112.364 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -124.92 164.91 19.07 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -83.56 124.22 39.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 106.779 -1.563 . . . . 50.0 106.779 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.42 113.28 26.24 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.954 0.883 . . . . 25.0 109.822 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -76.4 157.6 32.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.598 -0.728 . . . . 50.0 111.436 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.64 -36.91 72.47 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 112.355 0.502 . . . . 50.0 112.355 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -55.57 -46.98 77.12 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 122.359 1.076 . . . . 50.0 112.57 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -76.21 -36.65 58.5 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.309 -0.86 . . . . 50.0 110.827 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -35.93 79.73 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 122.037 -0.414 . . . . 50.0 110.03 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -61.56 -26.48 67.98 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.322 -0.861 . . . . 50.0 111.597 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -18.96 64.04 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.134 -0.627 . . . . 50.0 112.307 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.26 -17.03 50.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.994 -0.441 . . . . 50.0 109.981 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -86.76 -12.74 47.26 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 126.08 2.848 . . . . 50.0 113.713 179.369 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 C--O 1.194 -1.85 0 CA-C-O 123.389 1.566 . . . . 25.0 112.83 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.78 145.12 21.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 105.905 -1.887 . . . . 25.0 105.905 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -76.43 99.32 4.84 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 122.763 1.268 . . . . 50.0 111.961 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -133.91 175.7 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.388 -1.278 . . . . 50.0 108.346 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -77.71 111.52 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 mt -97.98 124.77 42.6 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 106.392 -1.707 . . . . 50.0 106.392 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.7 m -136.28 160.46 38.63 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 123.554 0.534 . . . . 50.0 111.151 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.13 -143.5 37.32 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.778 -0.646 . . . . 25.0 113.205 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -32.65 70.76 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.043 0.386 . . . . 50.0 112.043 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.36 -33.12 73.12 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.046 -0.409 . . . . 50.0 110.579 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.92 -59.72 3.27 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.46 -31.7 53.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.924 -0.71 . . . . 50.0 110.563 -174.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -71.79 -35.78 70.11 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 112.742 0.645 . . . . 50.0 112.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -41.1 88.94 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 120.905 0.383 . . . . 25.0 110.164 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.99 -42.5 97.19 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.146 -0.934 . . . . 50.0 108.698 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.985 0.422 . . . . 25.0 111.823 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.05 -41.55 98.26 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.946 -0.471 . . . . 50.0 111.852 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.75 -30.57 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 119.742 -0.783 . . . . 50.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -37.0 78.63 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.648 -0.657 . . . . 25.0 111.874 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.1 33.17 86.53 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.569 -1.013 . . . . 25.0 110.569 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -125.18 146.1 49.66 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.128 -0.631 . . . . 50.0 110.667 -174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -75.22 40.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.54 175.69 28.16 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.471 -0.786 . . . . 25.0 114.598 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 64.28 125.38 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.358 1.244 . . . . 50.0 114.358 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -75.96 108.44 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 50.0 110.345 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -154.47 117.85 4.55 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.27 0.557 . . . . 25.0 111.028 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.67 95.89 7.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-O 121.793 0.806 . . . . 25.0 109.1 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.35 152.09 34.29 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 117.257 -1.362 . . . . 25.0 112.393 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.48 -26.68 7.83 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.571 0.701 . . . . 50.0 111.586 174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.094 1.902 . . . . 25.0 112.55 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.731 0 CA-C-O 123.582 1.657 . . . . 25.0 114.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -47.88 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.589 1.556 . . . . 50.0 111.862 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.25 -46.02 91.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 121.883 -0.511 . . . . 50.0 110.066 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.25 -42.71 99.09 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 123.253 0.346 . . . . 25.0 110.66 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.38 -50.04 69.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.53 0.519 . . . . 25.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -25.58 61.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.781 1.03 . . . . 50.0 113.781 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -20.07 62.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.746 -0.382 . . . . 25.0 110.98 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 p -117.67 -22.9 7.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -107.73 165.02 11.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.91 123.58 36.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.55 -0.719 . . . . 50.0 109.573 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -79.03 154.09 29.73 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 p -149.78 151.4 33.51 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 107.405 -1.332 . . . . 50.0 107.405 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.23 -38.41 86.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.823 0.821 . . . . 50.0 110.722 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.42 -46.18 83.8 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.861 -0.608 . . . . 50.0 111.26 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.61 -38.86 67.67 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.103 -0.639 . . . . 50.0 110.517 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -28.92 69.65 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.77 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.795 -1.19 . . . . 50.0 110.587 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -68.94 -14.85 63.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.3 0.482 . . . . 50.0 112.3 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -97.94 12.59 33.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.3 t -59.4 -30.69 68.62 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.682 0.754 . . . . 25.0 110.947 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 124.747 2.213 . . . . 50.0 111.839 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 123.195 1.474 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.78 114.19 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -79.65 90.53 5.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -148.28 179.6 7.65 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.729 -1.582 . . . . 50.0 106.729 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -76.14 78.86 2.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.629 -0.878 . . . . 50.0 108.629 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.7 134.92 49.2 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.099 -1.445 . . . . 50.0 107.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 t -152.96 167.96 27.42 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 105.243 -2.132 . . . . 50.0 105.243 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.28 -148.64 50.35 Favored Glycine 0 C--N 1.31 -0.871 0 C-N-CA 120.477 -0.868 . . . . 25.0 113.497 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -61.13 -32.21 71.91 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.671 0.748 . . . . 50.0 112.882 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -65.38 -32.83 74.67 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 113.37 0.878 . . . . 50.0 113.37 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.1 -50.88 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.766 -0.457 . . . . 50.0 109.766 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.22 -30.02 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 120.544 -0.462 . . . . 50.0 110.536 -176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -48.24 75.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.37 96.86 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.15 0.976 . . . . 25.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.47 -38.73 90.68 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 121.772 -0.58 . . . . 50.0 110.713 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.413 ' CE2' ' HA ' ' B' ' 51' ' ' GLU . 31.4 t80 -57.55 -52.77 64.07 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 175.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.32 -34.15 76.06 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.473 1.108 . . . . 50.0 113.051 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.15 -46.05 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 120.699 -0.4 . . . . 50.0 110.148 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -7.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.998 2.221 . . . . 25.0 116.998 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.71 38.2 3.21 Favored Glycine 0 C--N 1.308 -1.025 0 O-C-N 121.241 -0.912 . . . . 25.0 115.162 -161.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.413 ' HA ' ' CE2' ' B' ' 46' ' ' TYR . 22.3 mt-10 -61.76 -38.62 88.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 118.026 0.913 . . . . 50.0 111.549 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -88.28 -2.23 58.48 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.671 -0.643 . . . . 25.0 110.684 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.09 -29.02 10.79 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 116.043 -0.526 . . . . 25.0 113.361 -175.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -134.75 103.63 5.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.179 0.99 . . . . 50.0 111.43 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -73.54 136.87 44.1 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 124.425 1.078 . . . . 50.0 108.673 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -149.79 141.98 24.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.91 89.61 48.33 Favored Pre-proline 0 C--N 1.347 0.462 0 CA-C-O 121.224 0.535 . . . . 25.0 109.647 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.86 105.73 1.86 Allowed 'Trans proline' 0 CA--C 1.518 -0.32 0 CA-C-O 121.828 0.678 . . . . 25.0 112.317 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -136.79 94.07 2.93 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.492 -0.755 . . . . 50.0 109.38 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.211 -0.951 0 CA-C-O 125.084 2.373 . . . . 25.0 110.971 178.341 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.065 0 N-CA-C 109.124 -1.59 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.48 -37.67 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 119.669 -2.077 . . . . 50.0 115.929 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.68 -46.41 92.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 C-N-CA 119.391 -0.924 . . . . 50.0 110.176 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.73 -43.11 98.29 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.4 -34.51 41.78 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 124.726 1.266 . . . . 25.0 111.491 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.96 -46.53 8.81 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 119.099 0.863 . . . . 50.0 112.983 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -63.56 -11.13 22.11 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p -90.22 6.46 42.71 Favored 'General case' 0 N--CA 1.437 -1.118 0 O-C-N 121.299 -0.876 . . . . 25.0 111.576 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -135.68 -178.98 5.37 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 125.207 1.403 . . . . 25.0 109.67 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.86 -33.49 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 121.103 -0.998 . . . . 50.0 111.829 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m 66.33 42.51 2.99 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 123.896 0.878 . . . . 25.0 110.492 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -62.2 159.95 13.88 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.41 -27.06 68.27 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 113.929 1.085 . . . . 75.0 113.929 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.21 -46.67 65.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.379 -1.282 . . . . 50.0 109.03 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -80.48 -40.87 25.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.27 1.028 . . . . 50.0 110.429 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.22 -32.51 74.12 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.801 1.037 . . . . 50.0 113.801 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -66.05 -25.43 67.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.23 -0.441 . . . . 50.0 110.584 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.71 -22.54 66.96 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.026 -1.046 . . . . 50.0 111.874 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -84.66 0.94 48.5 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.606 0.717 . . . . 50.0 110.592 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -98.88 -6.36 29.12 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 123.978 1.847 . . . . 50.0 113.284 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 m -124.52 149.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -102.03 109.39 21.09 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 107.007 -1.479 . . . . 50.0 107.007 -174.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.31 168.0 21.09 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 100.941 -3.725 . . . . 50.0 100.941 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -68.2 141.07 56.08 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.176 1.465 . . . . 50.0 111.337 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.4 123.99 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.053 -0.976 . . . . 50.0 109.914 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -147.4 170.86 16.47 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 50.0 106.179 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.94 -143.81 46.88 Favored Glycine 0 C--O 1.209 -1.434 0 C-N-CA 120.682 -0.77 . . . . 25.0 113.463 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.1 t -61.06 -32.24 71.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.601 -0.94 . . . . 50.0 112.74 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -63.23 -31.27 72.38 Favored 'General case' 0 C--O 1.181 -2.518 0 O-C-N 121.115 -0.99 . . . . 50.0 110.332 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -67.16 -44.94 78.47 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.906 -1.121 . . . . 50.0 111.093 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 m -82.17 -21.57 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.591 0 O-C-N 124.21 0.944 . . . . 50.0 109.813 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -66.58 -43.86 83.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.72 1.248 . . . . 50.0 108.967 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.29 64.46 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 119.721 -1.862 . . . . 25.0 109.293 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -41.03 93.15 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.954 0.883 . . . . 50.0 110.237 173.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.89 -41.13 91.92 Favored 'General case' 0 N--CA 1.414 -2.239 0 O-C-N 121.056 -1.027 . . . . 25.0 109.968 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.59 -40.46 92.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.53 0.566 . . . . 50.0 112.53 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.0 -34.11 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 115.566 1.691 . . . . 50.0 115.566 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 9.75 1.29 Allowed 'General case' 0 C--O 1.279 2.615 0 N-CA-C 115.078 1.511 . . . . 25.0 115.078 -175.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.34 62.43 4.57 Favored Glycine 0 C--O 1.208 -1.525 0 C-N-CA 119.188 -1.482 . . . . 25.0 114.226 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.29 -27.83 68.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.83 1.252 . . . . 50.0 113.792 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -118.17 -16.94 9.69 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.342 0.591 . . . . 25.0 110.612 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.67 26.25 Favored Glycine 0 N--CA 1.436 -1.347 0 N-CA-C 109.092 -1.603 . . . . 25.0 109.092 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -100.24 -37.67 8.81 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 122.146 -0.62 . . . . 50.0 111.723 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -157.91 108.11 2.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.121 0.962 . . . . 50.0 112.499 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -154.23 135.69 14.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.817 -1.083 . . . . 25.0 109.33 169.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.1 m -104.76 106.34 54.49 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 115.089 -0.96 . . . . 25.0 109.109 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -74.31 162.13 39.05 Favored 'Trans proline' 0 C--O 1.211 -0.83 0 C-N-CA 116.032 -2.178 . . . . 25.0 111.955 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -138.47 21.38 2.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 124.121 1.915 . . . . 50.0 110.422 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.196 -1.751 0 CA-C-N 112.969 -1.923 . . . . 25.0 110.495 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 CA-C-O 124.899 2.388 . . . . 25.0 112.404 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -55.71 -32.74 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 112.628 -1.786 . . . . 50.0 112.814 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.88 -52.73 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.899 -0.501 . . . . 50.0 110.495 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -72.6 -24.52 61.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.948 0.404 . . . . 25.0 110.92 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -66.84 -39.85 87.77 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 122.229 -0.294 . . . . 25.0 110.857 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -28.95 15.23 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 115.173 1.546 . . . . 50.0 115.173 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -82.17 37.51 0.5 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.454 0.702 . . . . 25.0 112.105 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -125.91 -72.69 0.65 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -142.74 41.09 1.56 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt 68.33 107.6 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.991 1.317 . . . . 50.0 112.256 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.23 144.08 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.804 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.8 p -71.17 149.29 46.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.363 0.875 . . . . 50.0 113.363 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.01 -35.75 75.74 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.852 -0.613 . . . . 50.0 110.833 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -56.86 -43.74 81.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.257 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -78.54 -37.96 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.917 0.389 . . . . 50.0 110.16 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.36 -39.47 83.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.822 0.344 . . . . 50.0 111.474 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.32 -20.9 66.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.953 0.353 . . . . 50.0 111.953 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.83 -18.76 63.46 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.531 -0.731 . . . . 50.0 110.523 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -86.49 1.73 50.46 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.719 0.266 . . . . 50.0 111.719 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.79 -11.66 61.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.899 0.856 . . . . 25.0 109.899 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 123.065 1.412 . . . . 50.0 114.802 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 123.536 1.636 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 m -98.3 55.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 122.981 1.372 . . . . 25.0 109.706 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.04 35.18 0.13 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 117.576 2.435 . . . . 50.0 117.576 -174.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 60.32 170.96 0.09 Allowed 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 115.377 1.621 . . . . 50.0 115.377 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.74 91.96 8.79 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 106.71 -1.589 . . . . 50.0 106.71 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 84.8 mt -87.52 131.98 34.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.391 -0.822 . . . . 50.0 110.822 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 67.0 m -140.04 -71.59 0.38 Allowed 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.314 -0.403 . . . . 50.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.02 -143.63 3.73 Favored Glycine 0 N--CA 1.465 0.63 0 CA-C-N 116.388 -0.369 . . . . 25.0 113.312 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -56.09 -18.85 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.991 1.848 . . . . 50.0 115.991 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -30.95 71.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.577 -0.702 . . . . 50.0 110.292 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.05 -45.69 76.66 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -37.58 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 50.0 109.427 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.74 -43.83 92.09 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 120.364 0.126 . . . . 50.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.67 79.57 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.584 -0.697 . . . . 25.0 109.181 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.38 -32.07 71.98 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -72.7 -39.98 66.58 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.98 -31.24 72.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.708 -0.62 . . . . 50.0 110.805 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.51 -48.56 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 113.836 1.05 . . . . 50.0 113.836 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.7 m -112.07 -5.97 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -171.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.52 57.18 3.77 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 116.264 1.265 . . . . 25.0 116.264 -170.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.48 -61.84 2.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.036 0.418 . . . . 50.0 111.514 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -167.66 40.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.21 25.88 0.89 Allowed Glycine 0 C--O 1.212 -1.248 0 N-CA-C 117.279 1.671 . . . . 25.0 117.279 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -81.8 -17.95 45.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.448 1.124 . . . . 50.0 112.973 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.33 169.67 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.745 -2.317 . . . . 50.0 104.745 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -139.26 131.16 27.7 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.085 -1.821 . . . . 25.0 106.085 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.15 104.06 7.29 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 105.902 -1.888 . . . . 25.0 105.902 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.42 127.3 15.46 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.984 -2.21 . . . . 25.0 111.208 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -162.06 -171.93 3.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 103.86 -2.644 . . . . 50.0 103.86 -176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.203 -1.368 0 CA-C-O 123.873 1.797 . . . . 25.0 112.444 171.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.35 0 N-CA-C 115.433 0.933 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.55 -33.66 45.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.182 -1.187 . . . . 50.0 113.356 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.63 -54.24 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.496 -0.764 . . . . 50.0 110.656 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.75 -24.23 60.93 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.526 0.516 . . . . 25.0 112.01 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.81 -40.54 88.1 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.187 -0.321 . . . . 25.0 111.654 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.73 -35.94 10.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.586 1.328 . . . . 50.0 114.586 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -85.96 53.88 2.94 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 122.236 1.017 . . . . 25.0 112.13 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.49 -54.96 0.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.549 -1.205 . . . . 25.0 108.554 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -125.7 18.02 8.04 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt 62.64 84.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.144 0.977 . . . . 50.0 111.924 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -64.75 136.34 56.82 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 121.602 0.715 . . . . 25.0 109.702 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -86.2 163.77 17.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 114.906 -1.043 . . . . 50.0 111.342 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.41 -28.1 58.37 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.571 0.952 . . . . 75.0 113.571 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.53 -44.48 96.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.701 -1.222 . . . . 50.0 107.701 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.24 -40.92 62.08 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.13 -0.486 . . . . 50.0 109.774 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.76 -34.34 77.02 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.694 -0.629 . . . . 50.0 112.546 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -65.42 -21.72 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.762 -0.586 . . . . 50.0 111.518 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -65.91 -21.13 66.42 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.464 -0.772 . . . . 50.0 110.08 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.3 -0.04 57.16 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.52 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -100.45 100.61 11.4 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.077 -1.014 . . . . 25.0 109.013 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 124.381 2.039 . . . . 50.0 111.297 176.145 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 123.315 1.531 . . . . 25.0 114.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 107.05 18.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 O-C-N 120.159 -1.588 . . . . 25.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.98 100.64 2.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.057 -0.974 . . . . 50.0 112.993 173.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.03 175.74 7.51 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 104.631 -2.359 . . . . 50.0 104.631 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.47 102.98 9.07 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 121.598 0.713 . . . . 50.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.01 79.74 6.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 112.804 -1.998 . . . . 50.0 107.545 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 77.1 m -127.51 163.36 24.3 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.417 -2.438 . . . . 50.0 104.417 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.93 -142.25 47.49 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 119.267 -1.445 . . . . 25.0 110.175 172.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -65.89 -28.38 68.9 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.193 -1.181 . . . . 50.0 110.126 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -59.69 -32.17 70.25 Favored 'General case' 0 C--O 1.251 1.153 0 O-C-N 120.96 -1.088 . . . . 50.0 111.424 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.35 -52.5 58.02 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.131 0.967 . . . . 50.0 110.567 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.81 -21.52 14.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.343 -0.844 . . . . 50.0 109.891 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.46 -50.47 52.22 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-O 121.43 0.633 . . . . 50.0 109.642 174.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.17 96.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.015 -0.993 . . . . 25.0 110.68 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.73 -40.91 98.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.999 -0.371 . . . . 50.0 109.999 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.27 -43.6 94.31 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.597 0.713 . . . . 25.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.08 -36.23 83.35 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.774 -0.579 . . . . 50.0 112.301 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.7 p -87.19 -31.94 6.16 Favored 'Isoleucine or valine' 0 C--O 1.26 1.636 0 N-CA-C 112.791 0.663 . . . . 50.0 112.791 -176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.4 20.54 0.74 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 116.242 1.942 . . . . 25.0 116.242 -174.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.02 41.4 2.61 Favored Glycine 0 C--O 1.234 0.111 0 O-C-N 120.032 -1.668 . . . . 25.0 111.974 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.13 -38.02 87.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.586 0.754 . . . . 50.0 111.403 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -79.17 -28.44 42.72 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.717 0.77 . . . . 25.0 109.51 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.82 159.26 31.57 Favored Glycine 0 N--CA 1.434 -1.471 0 CA-C-N 113.807 -1.542 . . . . 25.0 111.116 -173.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.48 -10.8 42.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.835 1.421 . . . . 50.0 114.835 -177.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 48.15 41.61 15.92 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.885 0.874 . . . . 50.0 113.213 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -131.58 145.16 51.57 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 35.4 p -119.04 92.43 45.22 Favored Pre-proline 0 N--CA 1.485 1.276 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.26 151.44 38.39 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -140.95 119.35 12.22 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 107.197 -1.409 . . . . 50.0 107.197 173.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 175.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 N-CA-C 117.098 1.599 . . . . 25.0 117.098 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.46 -41.93 27.59 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 125.475 1.338 . . . . 50.0 114.086 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.6 -56.13 12.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 O-C-N 121.674 -0.641 . . . . 50.0 110.784 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.5 -24.32 67.41 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 118.292 -0.861 . . . . 25.0 109.958 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -80.39 -42.44 22.82 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -74.63 -25.34 59.16 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.359 -1.337 . . . . 50.0 112.614 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -68.63 -18.1 64.24 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.628 -0.67 . . . . 25.0 111.27 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -117.06 10.8 14.04 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 114.925 -1.034 . . . . 25.0 112.718 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -142.49 -173.64 3.92 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 118.104 0.411 . . . . 25.0 111.396 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -89.59 -40.71 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 O-C-N 120.741 -1.225 . . . . 50.0 113.578 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.2 m 54.2 86.81 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.263 1.425 . . . . 25.0 112.299 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -65.51 167.11 9.31 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.757 -1.11 . . . . 50.0 109.746 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD12 ' CE1' ' B' ' 31' ' ' PHE . 49.3 tp -63.26 -32.26 73.62 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.381 -0.824 . . . . 50.0 111.799 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.31 1.053 . . . . 50.0 112.237 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -71.65 -44.68 63.87 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 114.947 -1.024 . . . . 50.0 110.495 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.01 -39.49 94.91 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.733 -1.187 . . . . 50.0 109.477 -173.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.19 -24.93 60.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.527 0.517 . . . . 50.0 111.059 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -71.74 -14.98 62.17 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.11 -0.994 . . . . 50.0 112.022 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.17 -7.77 50.53 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.315 0.646 . . . . 50.0 111.973 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 m -115.89 11.77 15.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.906 1.379 . . . . 25.0 111.354 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 CA--C 1.585 2.3 0 CA-C-O 127.993 3.759 . . . . 50.0 110.821 -178.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 13' ' ' LEU . 55.9 t80 . . . . . 0 N--CA 1.519 3.019 0 CA-C-O 126.091 2.853 . . . . 25.0 113.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 31.1 m -117.82 135.79 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.638 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -102.34 125.11 48.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.682 -1.145 . . . . 50.0 109.452 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -161.43 175.44 12.18 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 105.257 -2.127 . . . . 50.0 105.257 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -68.41 136.11 52.79 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.954 -0.758 . . . . 50.0 108.954 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.74 123.3 40.2 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 t -139.87 -58.98 0.56 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 112.656 0.613 . . . . 50.0 112.656 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 -128.96 4.24 Favored Glycine 0 C--O 1.2 -1.972 0 CA-C-N 118.816 0.734 . . . . 25.0 111.906 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -58.45 -35.12 71.64 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.583 -1.539 . . . . 50.0 113.383 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -55.66 -35.82 66.39 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 113.832 1.049 . . . . 50.0 113.832 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.49 -55.69 10.91 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 124.874 1.359 . . . . 50.0 112.865 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.33 -32.47 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 O-C-N 122.017 -0.427 . . . . 50.0 110.162 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.65 -48.31 75.25 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 122.161 -0.337 . . . . 50.0 110.193 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.41 80.87 Favored 'General case' 0 C--O 1.195 -1.785 0 C-N-CA 118.176 -1.409 . . . . 25.0 107.875 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.48 -41.77 90.57 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.696 -0.483 . . . . 50.0 109.696 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -67.61 -43.07 81.31 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 124.421 1.075 . . . . 25.0 108.729 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.04 -45.26 82.06 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 119.035 -0.507 . . . . 50.0 110.94 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.79 -28.45 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 119.014 0.825 . . . . 50.0 111.969 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -39.69 68.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.85 72.89 Favored Glycine 0 C--O 1.218 -0.876 0 O-C-N 125.254 1.596 . . . . 25.0 112.381 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.07 150.02 20.71 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.493 1.139 . . . . 50.0 112.162 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -87.14 48.81 1.7 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.938 -1.028 . . . . 25.0 111.726 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.04 -130.92 2.64 Favored Glycine 0 C--O 1.254 1.357 0 N-CA-C 108.652 -1.779 . . . . 25.0 108.652 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 68.07 -20.67 0.13 Allowed 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 115.931 1.826 . . . . 50.0 115.931 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -98.63 157.99 15.9 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.695 1.236 . . . . 50.0 109.879 170.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -140.17 127.15 20.79 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.2 p -142.49 149.73 51.96 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 103.325 -2.843 . . . . 25.0 103.325 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.02 143.37 59.83 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 113.418 -3.921 . . . . 25.0 112.377 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -77.54 94.49 4.33 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.56 1.354 0 CA-C-O 125.751 2.691 . . . . 25.0 110.687 -176.361 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.951 0 N-CA-C 117.505 1.762 . . . . 25.0 117.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 tt -47.02 -45.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 O-C-N 118.979 -2.483 . . . . 50.0 115.913 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.12 -50.24 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 121.224 -0.922 . . . . 50.0 110.832 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -32.58 71.05 Favored 'General case' 0 C--O 1.19 -2.028 0 C-N-CA 119.416 -0.914 . . . . 25.0 109.485 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -66.32 -44.76 82.49 Favored 'General case' 0 C--O 1.204 -1.313 0 O-C-N 120.091 -1.63 . . . . 25.0 110.845 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.14 -32.69 74.29 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.45 -1.406 . . . . 50.0 110.372 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -72.92 -32.74 65.51 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.956 -1.09 . . . . 25.0 111.901 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 p -92.04 -27.41 17.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 p -120.9 158.44 27.66 Favored 'General case' 0 C--N 1.373 1.61 0 O-C-N 120.74 -1.225 . . . . 25.0 108.687 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -74.68 127.09 36.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 108.576 -0.898 . . . . 50.0 108.576 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 160.85 19.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 122.684 1.23 . . . . 25.0 108.96 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -134.79 148.85 50.3 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.679 -2.341 . . . . 50.0 104.679 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.1 tp -58.5 -38.26 77.28 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 123.814 0.696 . . . . 50.0 111.104 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -50.93 -43.68 60.16 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 123.832 0.707 . . . . 50.0 112.385 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.8 -36.44 36.99 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.375 -0.93 . . . . 50.0 110.834 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.79 -39.58 77.87 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.38 -27.2 67.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.732 -1.122 . . . . 50.0 112.651 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.3 -24.66 63.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.231 -0.588 . . . . 50.0 109.425 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.07 -7.87 59.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.162 -0.926 . . . . 50.0 110.244 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.81 11.09 14.4 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.184 1.553 . . . . 25.0 108.326 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 124.908 2.29 . . . . 50.0 112.214 -175.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.199 -1.588 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.92 146.7 27.81 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-N 118.944 0.793 . . . . 25.0 109.716 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -91.18 136.86 32.8 Favored 'General case' 0 C--O 1.258 1.528 0 C-N-CA 120.174 -0.61 . . . . 50.0 111.537 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -164.73 161.5 20.66 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 107.351 -1.351 . . . . 50.0 107.351 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.83 107.83 18.86 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.828 0.851 . . . . 50.0 108.83 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.29 115.84 28.08 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.349 -1.352 . . . . 50.0 107.349 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 m -121.84 156.91 32.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.586 -1.188 . . . . 50.0 113.604 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.58 -140.68 47.85 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 114.233 -1.349 . . . . 25.0 113.857 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -63.86 -26.18 68.49 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 124.579 0.811 . . . . 50.0 112.816 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.55 -29.44 70.7 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.945 -0.472 . . . . 50.0 111.155 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.57 -56.21 10.37 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 123.542 0.527 . . . . 50.0 110.193 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.96 -29.48 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 119.905 -0.718 . . . . 50.0 111.531 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.25 -45.06 74.22 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 120.272 -0.571 . . . . 50.0 111.713 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.8 95.53 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-O 121.838 0.828 . . . . 25.0 109.493 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -39.66 85.1 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 122.351 1.072 . . . . 50.0 109.71 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.85 -39.27 90.6 Favored 'General case' 0 C--O 1.197 -1.696 0 O-C-N 120.426 -1.421 . . . . 25.0 113.007 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.05 -39.92 96.16 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 118.255 -0.879 . . . . 50.0 111.208 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.96 -30.53 23.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 119.492 1.042 . . . . 50.0 111.517 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -65.38 -47.34 76.71 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 -17.5 3.71 Favored Glycine 0 C--N 1.306 -1.137 0 O-C-N 122.308 -0.245 . . . . 25.0 113.508 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -140.22 177.5 7.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 106.413 -1.699 . . . . 50.0 106.413 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 60.32 52.19 4.99 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.58 132.55 44.38 Favored Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.203 -0.998 . . . . 25.0 112.795 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.37 -28.56 64.13 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 115.392 -0.404 . . . . 50.0 111.476 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -154.89 151.57 28.73 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 123.533 0.521 . . . . 50.0 111.416 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -145.09 148.27 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.219 0.95 . . . . 25.0 111.586 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 78.6 m -112.38 95.61 32.1 Favored Pre-proline 0 N--CA 1.477 0.878 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.926 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.13 94.53 0.74 Allowed 'Trans proline' 0 CA--C 1.562 1.879 0 N-CA-C 113.915 0.698 . . . . 25.0 113.915 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -148.76 44.55 1.01 Allowed 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 123.043 1.401 . . . . 50.0 111.222 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.193 -1.874 0 C-N-CA 126.762 2.025 . . . . 25.0 112.139 177.428 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.391 0 N-CA-C 119.402 2.521 . . . . 25.0 119.402 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -52.94 -40.99 38.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 121.032 -1.275 . . . . 50.0 114.243 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.9 -56.36 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.715 -0.794 . . . . 50.0 111.631 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -67.07 -26.84 66.94 Favored 'General case' 0 C--O 1.173 -2.925 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.805 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.84 -41.44 68.16 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 121.391 -0.818 . . . . 25.0 112.534 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 t -77.46 -46.0 23.91 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 112.958 0.725 . . . . 50.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.7 m -77.0 6.9 5.51 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 117.616 2.45 . . . . 25.0 117.616 -172.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -103.09 -12.97 17.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.36 -0.536 . . . . 25.0 111.076 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -154.06 -165.27 2.06 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mm -67.61 128.46 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 103.349 -2.834 . . . . 50.0 103.349 168.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -92.52 105.41 17.59 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.53 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.4 p -74.64 153.94 38.72 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 119.206 -0.997 . . . . 50.0 110.543 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.29 -27.09 63.17 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 108.552 -0.907 . . . . 50.0 108.552 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.5 -41.39 98.79 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 120.006 -0.678 . . . . 50.0 110.892 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -70.89 -41.71 70.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 108.423 -0.954 . . . . 50.0 108.423 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.01 -37.13 81.44 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 115.617 -0.719 . . . . 50.0 112.275 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -69.04 -19.02 64.09 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 117.252 -1.356 . . . . 50.0 109.882 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -70.39 -23.33 62.74 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 120.532 1.514 . . . . 50.0 112.968 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -77.09 -10.92 59.7 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.755 -0.378 . . . . 50.0 110.334 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -105.17 22.36 15.49 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 . . . . . 0 N--CA 1.491 1.578 0 C-N-CA 128.381 2.672 . . . . 50.0 111.693 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 CA--C 1.502 -0.904 0 CA-C-O 122.282 1.039 . . . . 25.0 113.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 p -73.59 137.36 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 CA-C-N 114.076 -1.42 . . . . 25.0 111.901 -172.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.56 128.7 36.67 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.995 -1.483 . . . . 50.0 106.995 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -140.34 178.06 7.56 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 119.016 -0.516 . . . . 50.0 111.17 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.91 129.11 34.36 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 104.561 -2.385 . . . . 50.0 104.561 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.87 129.79 40.83 Favored 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 104.657 -2.349 . . . . 50.0 104.657 -175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 t -157.05 171.03 21.19 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 103.907 -2.627 . . . . 50.0 103.907 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.11 -137.72 43.98 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 124.53 1.144 . . . . 25.0 113.019 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.4 p -61.41 -34.83 76.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.36 -1.671 . . . . 50.0 113.268 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.0 -35.36 78.31 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 118.752 0.705 . . . . 50.0 109.634 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.8 -51.34 69.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.864 0.84 . . . . 50.0 108.757 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.96 -38.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 115.822 -0.626 . . . . 50.0 110.051 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -58.23 -48.61 79.84 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.496 0.718 . . . . 50.0 111.722 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.42 82.89 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.328 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.97 -35.81 73.81 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 122.616 1.198 . . . . 50.0 109.321 178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.414 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 39.8 t80 -69.31 -42.43 75.42 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.97 -32.88 72.78 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.517 -1.23 . . . . 50.0 111.733 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.81 -32.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.757 0 CA-C-N 119.32 0.964 . . . . 50.0 113.214 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -148.43 7.0 0.76 Allowed 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 115.653 1.723 . . . . 25.0 115.653 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -76.06 30.58 1.34 Allowed Glycine 0 C--O 1.251 1.188 0 CA-C-O 118.312 -1.271 . . . . 25.0 115.715 -174.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.28 -33.23 70.82 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 118.6 1.2 . . . . 50.0 114.004 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -76.48 -18.48 58.74 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 116.64 0.38 Allowed Glycine 0 CA--C 1.541 1.685 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -78.62 -26.51 45.3 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.243 1.021 . . . . 50.0 108.552 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -155.48 105.51 2.46 Favored 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 107.411 -1.329 . . . . 50.0 107.411 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 25.5 t80 60.99 164.07 0.07 Allowed 'General case' 0 C--O 1.199 -1.555 0 C-N-CA 125.37 1.468 . . . . 25.0 113.28 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -128.81 74.57 80.69 Favored Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -83.12 175.3 8.56 Favored 'Trans proline' 0 C--O 1.236 0.381 0 CA-C-O 121.826 0.678 . . . . 25.0 112.892 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.86 108.75 7.59 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.35 -0.982 . . . . 50.0 108.35 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.511 2.607 0 C-N-CA 127.271 2.229 . . . . 25.0 114.009 166.766 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 117.634 1.814 . . . . 25.0 117.634 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -51.0 -41.87 23.01 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 CA-C-N 114.089 -1.055 . . . . 50.0 112.923 -176.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.1 -53.03 48.73 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.34 0 O-C-N 121.258 -0.901 . . . . 50.0 112.561 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.74 -20.39 59.84 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 120.982 -1.074 . . . . 25.0 112.316 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.91 -37.66 34.18 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 122.09 0.948 . . . . 25.0 110.219 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.56 -50.44 6.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.277 -1.514 . . . . 50.0 111.795 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.33 50.21 1.41 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 115.207 -0.906 . . . . 25.0 112.819 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -146.44 -5.94 0.56 Allowed 'General case' 0 C--O 1.26 1.608 0 CA-C-O 122.4 1.095 . . . . 25.0 111.46 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -151.96 179.42 8.48 Favored 'General case' 0 C--O 1.189 -2.128 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -72.22 128.28 34.99 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 N-CA-C 103.213 -2.884 . . . . 50.0 103.213 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -95.72 104.85 16.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -76.25 151.21 36.87 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.844 0.83 . . . . 50.0 110.695 -175.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' B' ' 31' ' ' PHE . 56.4 tp -56.62 -34.81 67.61 Favored 'General case' 0 C--O 1.186 -2.268 0 CA-C-N 115.155 -0.93 . . . . 50.0 111.864 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.36 -41.99 81.19 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 121.89 -0.506 . . . . 50.0 111.817 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.65 -38.99 28.13 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -36.73 80.13 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 124.199 0.999 . . . . 50.0 110.842 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.33 -21.85 66.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.629 0.581 . . . . 50.0 109.622 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -68.79 -18.95 64.27 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.08 -1.013 . . . . 50.0 111.467 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.33 3.53 52.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 122.552 1.168 . . . . 50.0 112.987 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -85.29 -2.22 57.83 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 123.187 1.47 . . . . 25.0 109.749 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--O 1.193 -1.869 0 C-N-CA 126.212 1.805 . . . . 50.0 113.26 175.278 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 59.2 t80 . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.75 136.35 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -77.4 106.57 9.24 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.853 -1.165 . . . . 50.0 107.853 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -144.06 -177.24 5.34 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.782 -1.199 . . . . 50.0 110.819 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.3 78.79 4.76 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.831 -0.803 . . . . 50.0 108.831 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.23 114.25 11.2 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 122.262 1.03 . . . . 50.0 108.385 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -138.94 161.91 36.18 Favored 'General case' 0 N--CA 1.421 -1.92 0 CA-C-N 115.028 -0.987 . . . . 50.0 109.398 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.93 -142.99 44.29 Favored Glycine 0 N--CA 1.416 -2.676 0 C-N-CA 120.569 -0.824 . . . . 25.0 114.68 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -68.54 -21.75 64.54 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.638 -0.425 . . . . 50.0 111.414 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -63.24 -26.62 68.87 Favored 'General case' 0 C--O 1.191 -2.015 0 N-CA-C 113.018 0.748 . . . . 50.0 113.018 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.18 -49.44 56.7 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 118.694 -0.669 . . . . 50.0 110.471 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.39 -30.13 33.84 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.879 0 CA-C-N 118.382 0.537 . . . . 50.0 110.6 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.67 -50.04 66.37 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 109.607 -0.516 . . . . 50.0 109.607 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.88 94.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.76 -1.213 . . . . 25.0 107.931 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.87 -44.51 86.67 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.049 -0.352 . . . . 50.0 110.049 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -66.85 -39.27 87.54 Favored 'General case' 0 C--O 1.204 -1.339 0 O-C-N 121.17 -0.956 . . . . 25.0 112.295 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.62 -43.0 99.91 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-O 122.033 0.921 . . . . 50.0 113.181 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.53 -28.76 14.57 Favored 'Isoleucine or valine' 0 C--O 1.25 1.088 0 CA-C-N 115.101 -0.954 . . . . 50.0 112.988 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 74.8 m -83.59 -46.14 12.71 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 118.614 -1.234 . . . . 25.0 110.523 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.65 27.31 73.92 Favored Glycine 0 C--N 1.312 -0.763 0 C-N-CA 119.667 -1.254 . . . . 25.0 112.187 -174.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.05 4.56 3.37 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 117.533 2.42 . . . . 50.0 117.533 -174.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 59.66 39.89 20.63 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 119.076 0.853 . . . . 25.0 112.243 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.96 125.63 5.43 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-N 115.102 -0.953 . . . . 25.0 113.233 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.43 -25.78 57.79 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 118.86 -2.553 . . . . 50.0 110.044 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -116.51 137.94 51.78 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 102.712 -3.07 . . . . 50.0 102.712 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -95.18 110.5 22.46 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 124.24 0.962 . . . . 25.0 109.173 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -131.43 85.56 52.64 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-O 121.704 0.764 . . . . 25.0 109.897 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.61 151.67 58.65 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 117.131 -1.446 . . . . 25.0 111.877 -173.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -135.51 29.4 3.27 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 121.88 0.848 . . . . 50.0 109.187 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.264 0 CA-C-O 123.636 1.684 . . . . 25.0 111.28 -175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.01 1 CA-C-O 128.927 4.626 . . . . 25.0 111.361 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -51.22 -44.62 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 1 CA-C-N 108.155 -4.023 . . . . 50.0 112.805 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.94 -48.16 87.37 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 -175.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -66.54 -30.5 70.82 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.172 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.68 -48.53 54.29 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 119.869 1.213 . . . . 25.0 112.237 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 m -81.42 -25.73 35.96 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.875 1.806 . . . . 50.0 115.875 -176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 t -71.29 -10.3 59.53 Favored 'General case' 0 C--O 1.268 2.052 0 CA-C-O 119.096 -0.478 . . . . 25.0 111.034 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -116.09 152.01 34.46 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 104.374 -2.454 . . . . 25.0 104.374 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m 51.5 -153.57 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.521 -0.737 . . . . 25.0 110.745 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -130.57 107.15 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.736 -0.839 . . . . 50.0 108.736 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.97 122.7 23.0 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 m -75.55 160.05 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -25.61 68.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 50.0 112.577 -176.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -63.15 -41.65 99.32 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 123.323 0.649 . . . . 50.0 110.933 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -75.91 -35.49 59.77 Favored 'General case' 0 C--O 1.195 -1.781 0 CA-C-N 115.255 -0.884 . . . . 50.0 108.855 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.28 -40.64 86.74 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.879 -0.415 . . . . 50.0 109.879 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.07 -28.81 55.17 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.808 -1.183 . . . . 50.0 113.61 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.37 -19.68 62.25 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.562 -1.336 . . . . 50.0 109.777 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -72.06 -23.61 61.39 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 121.346 -0.846 . . . . 50.0 112.148 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.25 -35.7 61.37 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 123.601 1.667 . . . . 50.0 110.069 173.72 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.505 2.289 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.18 132.27 33.37 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 O-C-N 118.978 -2.326 . . . . 25.0 113.601 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -82.24 131.43 35.23 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.27 -0.972 . . . . 50.0 110.236 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -160.69 166.87 28.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.271 -1.381 . . . . 50.0 107.271 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -59.08 141.48 53.95 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.892 -1.13 . . . . 50.0 111.365 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.83 98.39 5.79 Favored 'General case' 0 C--O 1.186 -2.245 0 CA-C-O 123.623 1.677 . . . . 50.0 113.408 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -126.47 -146.18 0.33 Allowed 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 114.615 -1.175 . . . . 50.0 108.892 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -29.08 123.32 0.08 OUTLIER Glycine 0 N--CA 1.486 1.99 0 N-CA-C 117.431 1.732 . . . . 25.0 117.431 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m 63.8 -51.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.463 1.653 . . . . 50.0 115.463 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -60.13 -39.73 87.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.974 1.101 . . . . 50.0 113.974 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.63 -54.35 44.07 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.33 -37.86 80.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.94 -46.35 78.48 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.975 -0.453 . . . . 50.0 111.676 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.02 -42.71 89.28 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 120.696 -1.252 . . . . 25.0 108.348 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.69 -45.71 77.77 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 123.321 0.648 . . . . 50.0 110.066 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.82 -44.87 94.99 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.379 -0.826 . . . . 25.0 110.693 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.49 -33.75 76.25 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.089 1.514 . . . . 50.0 115.089 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.74 -26.51 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 O-C-N 120.047 -1.658 . . . . 50.0 114.168 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 67.1 m -79.11 -56.03 4.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 120.278 -0.569 . . . . 25.0 112.337 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.3 24.79 67.76 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.01 -1.091 . . . . 25.0 115.389 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.62 -63.87 1.24 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-N 117.72 0.76 . . . . 50.0 112.151 -172.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -144.78 -32.25 0.41 Allowed 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.23 136.53 8.67 Favored Glycine 0 C--O 1.205 -1.662 0 N-CA-C 109.197 -1.561 . . . . 25.0 109.197 -170.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -82.04 -24.51 35.27 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.919 -0.754 . . . . 50.0 109.702 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -121.1 71.55 0.95 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 105.289 -2.115 . . . . 50.0 105.289 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -140.91 130.43 23.95 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 126.164 2.165 . . . . 25.0 109.649 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.9 p -135.26 146.73 59.28 Favored Pre-proline 0 C--O 1.238 0.485 0 N-CA-C 106.086 -1.82 . . . . 25.0 106.086 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.81 172.78 15.6 Favored 'Trans proline' 0 N--CA 1.439 -1.7 0 C-N-CA 117.651 -1.099 . . . . 25.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -122.84 133.01 54.45 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.381 -0.824 . . . . 50.0 111.229 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.572 1.8 0 CA-C-O 123.795 1.759 . . . . 25.0 110.343 175.726 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 117.101 1.6 . . . . 25.0 117.101 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.71 -35.8 57.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 124.157 0.983 . . . . 50.0 113.444 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -67.69 -52.67 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 119.527 -0.869 . . . . 50.0 111.43 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -67.81 -27.16 66.49 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.201 -0.937 . . . . 25.0 110.806 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -72.27 -47.83 47.11 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 123.635 0.584 . . . . 25.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.7 m -81.89 -18.53 43.4 Favored 'General case' 0 C--O 1.26 1.629 0 N-CA-C 115.247 1.573 . . . . 50.0 115.247 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -88.41 40.19 0.95 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.899 0.857 . . . . 25.0 111.77 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -133.29 -91.13 0.37 Allowed 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.101 -1.409 . . . . 25.0 107.737 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t -81.36 148.77 29.19 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 165.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.05 121.72 16.71 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 CA-C-N 119.128 0.876 . . . . 50.0 109.283 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.54 116.64 6.36 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -64.11 149.7 47.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.266 -1.013 . . . . 50.0 108.266 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -22.53 66.51 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 120.224 -1.548 . . . . 50.0 111.919 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -67.66 -35.42 78.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.499 -0.773 . . . . 50.0 109.927 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -79.47 -37.51 36.68 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.299 0.571 . . . . 50.0 111.751 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.21 -34.83 72.63 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 115.65 -0.705 . . . . 50.0 112.318 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.13 -33.55 67.49 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.818 0.847 . . . . 50.0 110.898 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.73 -22.79 63.35 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.746 -0.782 . . . . 50.0 111.48 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -73.7 -12.36 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.764 -1.21 . . . . 50.0 110.68 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.98 52.13 1.86 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.484 1.232 0 CA-C-N 112.899 -1.955 . . . . 50.0 113.206 -171.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 123.672 1.701 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.09 128.1 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.871 -1.143 . . . . 25.0 111.134 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -84.2 121.63 27.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.161 -1.051 . . . . 50.0 108.161 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.3 171.23 14.4 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.17 0.588 . . . . 50.0 110.436 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.86 94.53 3.91 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.16 141.68 38.05 Favored 'General case' 0 CA--C 1.49 -1.355 0 C-N-CA 119.119 -1.032 . . . . 50.0 109.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.27 -144.37 0.27 Allowed 'General case' 0 C--O 1.243 0.727 0 CA-C-N 116.305 -0.407 . . . . 50.0 110.207 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.88 141.26 5.19 Favored Glycine 0 C--O 1.213 -1.194 0 CA-C-N 115.54 -0.755 . . . . 25.0 113.823 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t 63.94 -61.34 0.17 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.458 2.022 . . . . 50.0 116.458 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -32.49 73.59 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 119.75 -1.843 . . . . 50.0 112.07 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -67.16 -38.21 85.06 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 121.019 1.736 . . . . 50.0 108.286 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.69 -35.29 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.484 -0.932 . . . . 50.0 108.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.61 -42.95 77.41 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 109.066 -0.716 . . . . 50.0 109.066 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.8 95.76 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.268 0.94 . . . . 25.0 109.533 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 tp -58.09 -43.91 87.33 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 121.792 -0.568 . . . . 50.0 110.895 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.492 -1.25 0 O-C-N 120.867 -1.145 . . . . 25.0 111.069 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.22 -31.62 70.32 Favored 'General case' 0 C--O 1.17 -3.106 0 C-N-CA 120.313 -0.555 . . . . 50.0 111.684 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 p -85.66 -31.35 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 119.572 -1.955 . . . . 50.0 112.975 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 86.4 m -70.73 -38.55 73.58 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.267 0.556 . . . . 25.0 112.325 172.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.29 82.86 Favored Glycine 0 C--O 1.216 -1.026 0 CA-C-O 122.6 1.111 . . . . 25.0 112.457 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.49 163.48 25.25 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 121.682 -0.893 . . . . 50.0 109.291 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.92 -15.65 44.7 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 114.981 1.474 . . . . 25.0 114.981 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.22 173.21 12.95 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.19 -4.38 14.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.022 -1.281 . . . . 50.0 111.929 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -109.29 110.77 22.04 Favored 'General case' 0 CA--C 1.482 -1.648 0 N-CA-C 105.799 -1.926 . . . . 50.0 105.799 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -132.01 112.59 12.51 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 125.413 1.696 . . . . 25.0 111.232 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -133.34 95.6 18.08 Favored Pre-proline 0 C--N 1.343 0.293 0 CA-C-N 114.548 -1.206 . . . . 25.0 108.177 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -71.26 103.04 1.34 Allowed 'Trans proline' 0 C--N 1.328 -0.51 0 N-CA-C 114.157 0.791 . . . . 25.0 114.157 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -143.64 116.66 8.87 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.781 -0.645 . . . . 50.0 112.385 170.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.205 -1.254 0 CA-C-O 126.842 3.21 . . . . 25.0 112.238 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.309 0 N-CA-C 120.453 2.941 . . . . 25.0 120.453 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tt -51.28 -32.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 119.584 -2.127 . . . . 50.0 116.183 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.79 -57.94 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.864 -1.148 . . . . 50.0 111.317 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.32 -26.11 68.34 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.685 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.44 -50.22 19.27 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.54 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.96 -21.94 59.83 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 112.419 0.526 . . . . 50.0 112.419 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.4 m -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 123.647 0.592 . . . . 25.0 110.921 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -125.06 -11.9 7.01 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 122.263 1.03 . . . . 25.0 113.509 -172.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -140.32 168.9 18.71 Favored 'General case' 0 C--O 1.25 1.108 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -90.3 103.42 14.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 106.474 -1.676 . . . . 50.0 106.474 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 p -76.63 111.03 11.7 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 m -62.82 147.07 51.11 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.33 -39.03 44.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.151 0.581 . . . . 50.0 111.505 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -55.16 -40.09 70.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.407 0.622 . . . . 50.0 111.219 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -38.61 18.29 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 115.134 -0.939 . . . . 50.0 110.336 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.21 -46.71 72.54 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 112.522 0.564 . . . . 50.0 112.522 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HE2' HG21 ' B' ' 48' ' ' VAL . 4.4 mm-40 -63.96 -23.92 67.52 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.658 -0.701 . . . . 50.0 111.225 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.04 -7.7 54.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.385 -0.822 . . . . 50.0 108.908 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -83.93 -10.6 57.83 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.836 -1.172 . . . . 50.0 107.836 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -116.26 -162.58 0.85 Allowed 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.382 -1.711 . . . . 25.0 106.382 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.742 1.258 . . . . 50.0 111.344 171.559 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 124.712 2.196 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.53 114.1 42.52 Favored 'Isoleucine or valine' 0 C--N 1.386 2.167 0 O-C-N 120.426 -1.421 . . . . 25.0 110.783 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.08 126.52 33.16 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 107.155 -1.424 . . . . 50.0 107.155 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -163.84 168.81 19.08 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.729 -1.582 . . . . 50.0 106.729 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.63 145.43 55.59 Favored 'General case' 0 C--O 1.261 1.691 0 N-CA-C 105.58 -2.008 . . . . 50.0 105.58 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.31 121.84 20.66 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -158.74 165.96 33.1 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.504 -1.665 . . . . 50.0 106.504 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.62 79.9 0.07 OUTLIER Glycine 0 C--O 1.258 1.604 0 N-CA-C 116.676 1.43 . . . . 25.0 116.676 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m 60.21 -32.64 0.06 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 117.102 2.26 . . . . 50.0 117.102 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -61.34 -32.73 72.62 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 120.257 1.389 . . . . 50.0 112.12 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.47 -44.28 94.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 119.039 0.836 . . . . 50.0 111.872 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.35 -40.94 83.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -67.3 -41.6 85.12 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.407 -0.815 . . . . 50.0 108.881 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.77 94.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.03 -36.42 83.2 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 123.734 0.814 . . . . 50.0 110.136 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -69.18 -43.8 73.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.623 -1.298 . . . . 25.0 109.33 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.61 -39.51 80.83 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.868 -1.06 . . . . 50.0 112.693 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.427 HG21 ' HE2' ' A' ' 17' ' ' GLU . 9.9 p -79.7 -26.0 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 114.831 1.419 . . . . 50.0 114.831 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 95.1 m -92.23 -26.2 18.28 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.88 29.43 63.05 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 124.342 2.079 . . . . 25.0 112.906 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 165.53 25.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.398 -1.401 . . . . 50.0 110.291 -173.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.99 -36.52 64.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.827 -2.657 . . . . 25.0 103.827 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.03 150.66 5.69 Favored Glycine 0 N--CA 1.435 -1.43 0 N-CA-C 108.258 -1.937 . . . . 25.0 108.258 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -93.5 -45.93 7.54 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 122.139 0.971 . . . . 50.0 111.976 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -147.04 108.09 4.21 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.03 -1.668 . . . . 50.0 112.599 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 52.1 t80 59.27 139.53 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 116.512 2.041 . . . . 25.0 116.512 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.07 93.48 38.76 Favored Pre-proline 0 CA--C 1.502 -0.875 0 CA-C-O 121.665 0.745 . . . . 25.0 112.182 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.59 153.02 65.38 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 CA-C-O 122.947 1.144 . . . . 25.0 110.986 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -75.72 -38.9 58.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 113.416 -1.72 . . . . 50.0 110.586 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 123.961 1.838 . . . . 25.0 110.888 -179.563 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.264 0 CA-C-O 123.814 1.785 . . . . 25.0 113.556 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tt -52.56 -46.0 48.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 CA-C-N 112.268 -1.966 . . . . 50.0 111.67 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -63.46 -45.17 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 113.74 1.015 . . . . 50.0 113.74 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.51 -1.369 . . . . 25.0 112.026 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.01 -53.44 55.48 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.735 1.255 . . . . 25.0 113.663 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -72.7 -23.0 60.81 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 119.998 -1.689 . . . . 50.0 111.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -65.42 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -128.66 7.13 5.68 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.146 1.378 . . . . 25.0 112.673 -175.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -137.36 -173.1 3.38 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.454 -0.778 . . . . 25.0 112.189 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mm -83.37 -48.05 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 O-C-N 121.479 -0.763 . . . . 50.0 109.006 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m 50.2 69.68 0.59 Allowed 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 124.667 1.229 . . . . 25.0 110.133 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.7 m -69.15 168.23 14.48 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 116.043 -0.526 . . . . 50.0 110.223 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.5 tp -43.13 -44.42 5.01 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 114.551 1.315 . . . . 50.0 114.551 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -58.55 -38.78 78.53 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.004 1.113 . . . . 50.0 114.004 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -81.21 -37.12 29.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.687 -0.688 . . . . 50.0 110.06 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.11 -39.42 78.62 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 122.967 1.365 . . . . 50.0 113.618 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.25 -21.08 66.28 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 114.593 -1.185 . . . . 50.0 112.038 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.4 -22.4 61.12 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -81.93 -9.82 59.47 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 120.048 -1.657 . . . . 50.0 111.474 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -93.99 50.9 1.46 Allowed 'General case' 0 C--O 1.253 1.243 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--O 1.2 -1.534 0 CA-C-O 125.169 2.414 . . . . 50.0 110.052 -178.789 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.847 1.308 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.92 114.37 27.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -82.12 106.63 14.18 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -140.92 150.97 43.85 Favored 'General case' 0 CA--C 1.482 -1.659 0 CA-C-N 120.741 1.609 . . . . 50.0 107.426 -173.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.99 141.59 56.21 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 122.439 1.114 . . . . 50.0 108.577 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.96 127.87 29.43 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.951 0.881 . . . . 50.0 109.887 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 47.1 t -140.81 -43.61 0.39 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.297 -1.502 . . . . 50.0 111.734 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 -157.31 14.05 Favored Glycine 0 N--CA 1.431 -1.641 0 O-C-N 124.097 0.873 . . . . 25.0 111.365 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -60.54 -12.14 9.04 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 119.053 1.427 . . . . 50.0 110.357 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -56.94 -32.11 65.66 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.492 -0.755 . . . . 50.0 112.512 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.44 -57.28 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.35 1.031 . . . . 50.0 112.976 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -65.1 -27.66 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.864 0 O-C-N 121.177 -0.952 . . . . 50.0 111.817 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -71.22 -37.36 72.04 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.492 0.495 . . . . 50.0 110.461 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.98 76.96 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -33.22 74.62 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-O 122.069 0.938 . . . . 50.0 112.483 175.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -68.7 -42.47 77.72 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.165 -1.584 . . . . 25.0 108.856 172.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.72 -30.4 71.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.774 1.398 . . . . 50.0 114.774 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.93 -39.18 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 N-CA-C 115.46 1.652 . . . . 50.0 115.46 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.84 23.5 4.26 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -170.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.48 68.43 3.55 Favored Glycine 0 C--O 1.217 -0.962 0 O-C-N 120.833 -1.167 . . . . 25.0 113.525 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.53 52.56 0.8 Allowed 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.48 0.548 . . . . 50.0 112.48 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 58.22 34.55 24.23 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 124.362 1.065 . . . . 25.0 110.456 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.47 -29.28 7.53 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 116.412 1.325 . . . . 25.0 116.412 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -75.43 -29.4 59.71 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.154 -1.792 . . . . 50.0 110.88 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -152.23 152.56 32.37 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 121.359 -0.838 . . . . 50.0 112.325 -170.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -118.93 109.25 15.76 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.71 84.8 60.15 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 113.476 -1.693 . . . . 25.0 111.187 -176.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -80.25 67.45 8.62 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.141 1.894 . . . . 25.0 111.389 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -142.42 156.56 45.21 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 106.217 -1.771 . . . . 50.0 106.217 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.194 -1.851 0 CA-C-O 124.663 2.173 . . . . 25.0 114.632 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.717 0 CA-C-O 122.924 1.291 . . . . 25.0 114.619 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -49.21 -47.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.356 -1.085 . . . . 50.0 112.49 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.62 -59.1 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.592 -0.692 . . . . 50.0 112.264 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -62.72 -26.34 68.63 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -71.56 -51.97 20.63 Favored 'General case' 0 C--O 1.191 -2.002 0 C-N-CA 119.663 -0.815 . . . . 25.0 109.509 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -76.01 -16.04 60.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 119.089 -2.257 . . . . 50.0 114.311 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.36 -23.95 60.27 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 121.424 -0.798 . . . . 25.0 111.539 172.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.26 -9.96 9.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.638 0.732 . . . . 25.0 112.067 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -134.59 164.4 27.59 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -95.23 116.49 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 106.025 -1.842 . . . . 50.0 106.025 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.5 m -92.14 109.02 20.37 Favored 'General case' 0 C--O 1.183 -2.428 0 CA-C-N 114.078 -1.419 . . . . 25.0 109.822 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -62.46 155.77 24.61 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 107.892 -1.151 . . . . 50.0 107.892 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -62.78 -29.65 70.86 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.705 -0.622 . . . . 50.0 110.889 173.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -59.02 -34.65 72.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.08 -0.509 . . . . 50.0 109.947 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -84.96 -40.08 17.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 50.0 112.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 -41.21 92.18 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 123.151 0.58 . . . . 50.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.31 -25.44 68.31 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.715 1.143 . . . . 50.0 113.546 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.09 -23.98 65.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.609 -0.682 . . . . 50.0 112.082 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.8 -19.52 61.32 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.665 -0.814 . . . . 50.0 110.575 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.98 12.55 23.55 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.195 0.998 . . . . 25.0 110.648 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--O 1.192 -1.956 0 CA-C-O 128.315 3.912 . . . . 50.0 108.266 178.597 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 N--CA 1.51 2.558 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.65 127.27 13.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 O-C-N 120.103 -1.623 . . . . 25.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -87.81 105.13 17.19 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.719 1.723 . . . . 50.0 110.169 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -142.53 163.52 32.6 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 107.745 -1.205 . . . . 50.0 107.745 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -67.14 145.65 55.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 104.426 -2.435 . . . . 50.0 104.426 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.62 104.71 8.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.92 0.488 . . . . 50.0 110.99 -173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.02 139.75 23.86 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.787 0.835 . . . . 50.0 110.811 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 87.47 0.26 Allowed Glycine 0 C--O 1.202 -1.851 0 N-CA-C 115.452 0.941 . . . . 25.0 115.452 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 61.55 -43.68 0.14 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.046 2.239 . . . . 50.0 117.046 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -39.55 69.93 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.628 1.344 . . . . 50.0 114.628 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.15 -53.9 52.86 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.027 1.121 . . . . 50.0 114.027 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.45 -30.18 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 121.131 -0.981 . . . . 50.0 109.533 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.53 -48.97 75.34 Favored 'General case' 0 N--CA 1.51 2.529 0 N-CA-C 108.725 -0.843 . . . . 50.0 108.725 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.93 99.11 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.888 0.475 . . . . 25.0 110.824 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.539 0.524 . . . . 50.0 109.718 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -60.35 -44.28 95.69 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 120.932 -1.105 . . . . 25.0 112.043 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.62 -34.72 78.88 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 113.233 0.827 . . . . 50.0 113.233 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -79.66 -29.9 13.32 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 119.382 -0.927 . . . . 50.0 109.103 -175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.32 -51.07 40.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.422 0.451 . . . . 25.0 111.625 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.43 24.5 65.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 119.465 -1.35 . . . . 25.0 112.058 -170.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -127.38 143.98 51.13 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 118.276 1.038 . . . . 50.0 108.958 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -98.69 16.74 21.12 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.75 26.65 10.28 Favored Glycine 0 CA--C 1.541 1.688 0 O-C-N 121.232 -0.917 . . . . 25.0 113.445 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -78.02 -44.7 25.76 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 117.859 0.83 . . . . 50.0 110.444 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -132.98 152.18 51.98 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-O 119.23 -0.414 . . . . 50.0 111.594 176.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -143.37 125.46 15.37 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 123.698 0.624 . . . . 25.0 111.382 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.81 89.77 4.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 105.992 -1.855 . . . . 25.0 105.992 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.34 128.95 16.19 Favored 'Trans proline' 0 C--O 1.252 1.21 0 C-N-CA 118.068 -0.821 . . . . 25.0 111.636 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -145.26 111.17 5.5 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 106.096 -1.816 . . . . 50.0 106.096 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.597 0 CA-C-O 126.204 3.113 . . . . 25.0 115.73 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.85 -35.19 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.005 0 O-C-N 120.242 -1.74 . . . . 50.0 111.99 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.92 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.594 0 CA-C-N 114.498 -1.228 . . . . 50.0 110.114 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.29 -32.16 64.47 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.81 -38.61 64.53 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.143 -0.481 . . . . 25.0 109.706 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -40.1 9.5 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.647 0.981 . . . . 50.0 113.647 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.06 76.78 10.21 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.126 -1.609 . . . . 25.0 109.781 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.29 -40.87 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 114.722 -1.126 . . . . 25.0 112.11 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -146.9 36.83 0.95 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.28 1.038 . . . . 25.0 112.264 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt 56.59 76.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 114.341 -1.3 . . . . 50.0 110.148 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.18 148.1 45.64 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 119.558 -0.857 . . . . 25.0 112.655 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -84.96 166.2 16.97 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 118.799 -0.619 . . . . 50.0 111.356 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.94 -28.93 68.69 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 109.284 -0.635 . . . . 75.0 109.284 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.76 -38.53 78.67 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.89 -43.37 36.05 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 123.9 0.75 . . . . 50.0 110.863 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 tp -53.41 -43.1 67.68 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.86 -19.4 65.03 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 115.295 1.591 . . . . 50.0 115.295 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.06 -23.23 67.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.854 -0.738 . . . . 50.0 110.473 172.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.93 -7.81 57.84 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.208 0.527 . . . . 50.0 110.724 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.41 40.24 1.73 Allowed 'General case' 0 C--O 1.195 -1.809 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.378 1.816 0 C-N-CA 126.769 2.028 . . . . 50.0 114.267 179.089 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 C--O 1.196 -1.733 0 CA-C-O 121.808 0.813 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 30.9 m -91.08 161.12 2.63 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.19 146.19 42.51 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -165.81 177.99 6.84 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 105.566 -2.013 . . . . 50.0 105.566 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.58 78.41 4.09 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.16 -1.587 . . . . 50.0 110.26 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.94 119.99 14.99 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.557 -0.714 . . . . 50.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.34 168.16 21.15 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 104.645 -2.354 . . . . 50.0 104.645 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.01 -133.47 12.33 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 124.121 1.956 . . . . 25.0 114.157 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -33.3 75.48 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.863 -1.375 . . . . 50.0 114.063 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -62.62 -33.95 76.04 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.144 -1.428 . . . . 50.0 107.144 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -46.59 82.64 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 119.664 1.12 . . . . 50.0 109.383 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.94 -37.93 81.48 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 N-CA-C 107.927 -1.138 . . . . 50.0 107.927 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -67.21 -50.81 59.43 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 124.945 1.403 . . . . 50.0 109.309 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.205 -1.28 0 O-C-N 121.379 -0.825 . . . . 25.0 111.146 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.07 -37.31 83.79 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.756 1.265 . . . . 50.0 111.913 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.91 -48.04 80.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.61 -42.3 99.5 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 113.005 0.743 . . . . 50.0 113.005 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.13 -35.06 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 118.472 -0.775 . . . . 50.0 111.282 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 90.2 m -77.45 -48.58 16.78 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.598 0.561 . . . . 25.0 110.757 175.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.34 -45.9 2.41 Favored Glycine 0 C--N 1.299 -1.481 0 C-N-CA 120.94 -0.648 . . . . 25.0 111.893 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.84 69.31 0.68 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.326 1.563 . . . . 50.0 112.583 -176.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.59 45.95 23.83 Favored 'General case' 0 C--O 1.193 -1.9 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.57 -29.15 53.29 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 116.746 1.459 . . . . 25.0 116.746 -170.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -141.53 -138.74 0.12 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.588 -1.264 . . . . 50.0 107.588 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.18 129.41 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.138 0.494 . . . . 50.0 110.412 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -142.89 131.27 22.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.011 -0.431 . . . . 25.0 111.099 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.8 p -135.87 151.6 74.3 Favored Pre-proline 0 C--O 1.261 1.66 0 CA-C-N 114.467 -1.242 . . . . 25.0 109.994 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -75.27 153.31 40.44 Favored 'Trans proline' 0 CA--C 1.548 1.203 0 C-N-CA 115.589 -2.474 . . . . 25.0 112.952 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -128.15 -40.02 1.69 Allowed 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 123.15 1.453 . . . . 50.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.199 -1.601 0 CA-C-O 123.294 1.521 . . . . 25.0 108.616 -179.12 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.647 0 CA-C-O 124.043 1.913 . . . . 25.0 113.808 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tt -51.98 -41.11 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 112.09 -2.055 . . . . 50.0 111.174 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.84 -62.06 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 CA-C-O 118.507 -0.759 . . . . 50.0 109.522 -175.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.64 -25.1 66.05 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 119.462 -0.895 . . . . 25.0 110.617 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -70.47 -55.37 9.13 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.519 -0.753 . . . . 25.0 109.422 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -71.82 -16.98 62.18 Favored 'General case' 0 CA--C 1.562 1.426 0 N-CA-C 114.361 1.245 . . . . 50.0 114.361 -177.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -73.92 -24.99 59.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 119.335 -0.364 . . . . 25.0 110.388 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -115.07 -30.56 6.32 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 m -107.42 165.67 11.23 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.221 -1.549 . . . . 25.0 110.339 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -89.05 104.8 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 105.041 -2.207 . . . . 50.0 105.041 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.2 m -74.19 115.66 13.95 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -67.46 154.34 41.61 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.665 -1.976 . . . . 50.0 105.665 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.74 -28.45 66.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.99 -44.88 94.23 Favored 'General case' 0 C--O 1.194 -1.863 0 O-C-N 125.002 1.439 . . . . 50.0 108.872 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -74.42 -34.51 63.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 121.485 -0.759 . . . . 50.0 109.386 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.77 -38.46 81.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 118.361 0.528 . . . . 50.0 110.328 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -59.43 -24.13 63.25 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 114.353 1.242 . . . . 50.0 114.353 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.05 -20.82 60.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 124.29 1.995 . . . . 50.0 111.828 -175.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -80.19 -4.3 52.51 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.368 -1.287 . . . . 50.0 110.487 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -114.58 36.91 3.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.947 1.356 . . . . 25.0 111.128 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.209 -1.027 0 C-N-CA 124.852 1.261 . . . . 50.0 112.929 -171.314 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.9 142.54 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 119.266 -2.146 . . . . 25.0 112.07 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.5 103.99 16.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.007 -1.077 . . . . 50.0 110.232 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.4 171.7 15.07 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.794 -0.567 . . . . 50.0 110.443 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.9 148.96 48.34 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 109.041 -0.726 . . . . 50.0 109.041 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.62 115.76 22.0 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 123.242 0.617 . . . . 50.0 109.52 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -131.06 -54.94 1.05 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.16 1.911 . . . . 50.0 116.16 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.91 -142.71 4.64 Favored Glycine 0 C--N 1.346 1.097 0 C-N-CA 119.196 -1.478 . . . . 25.0 112.128 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -52.71 -24.35 8.46 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 118.077 0.939 . . . . 50.0 113.428 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -57.87 -24.05 55.81 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 114.634 1.346 . . . . 50.0 114.634 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.22 -58.26 3.98 Favored 'General case' 0 C--O 1.187 -2.199 0 N-CA-C 107.791 -1.188 . . . . 50.0 107.791 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.52 -29.65 47.21 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.8 0 CA-C-O 121.053 0.454 . . . . 50.0 109.943 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.75 -46.86 77.25 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 122.395 1.093 . . . . 50.0 110.853 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.03 87.78 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.47 -0.769 . . . . 25.0 109.171 173.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -35.75 74.98 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 121.9 0.857 . . . . 50.0 112.364 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -69.68 -41.0 76.05 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.243 -0.89 . . . . 25.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.2 -39.49 89.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.177 -1.392 . . . . 50.0 110.76 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.07 -34.48 10.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.735 0 CA-C-N 119.719 1.145 . . . . 50.0 113.477 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -120.33 -17.07 8.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.927 1.454 . . . . 25.0 114.927 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.22 56.92 4.04 Favored Glycine 0 C--O 1.202 -1.851 0 C-N-CA 119.162 -1.494 . . . . 25.0 115.608 -169.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.48 -44.98 85.35 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.91 0.355 . . . . 50.0 110.289 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -87.58 -4.5 58.96 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 123.038 1.399 . . . . 25.0 110.393 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.96 148.79 18.8 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 114.859 -1.064 . . . . 25.0 110.983 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.16 -36.16 35.5 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.254 0.55 . . . . 50.0 111.986 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -151.97 44.4 0.74 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.49 -1.67 . . . . 50.0 106.49 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 t80 65.67 110.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 19.5 p -136.28 72.8 58.5 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.12 150.58 72.26 Favored 'Trans proline' 0 N--CA 1.429 -2.319 0 CA-C-O 122.74 1.058 . . . . 25.0 110.295 176.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -152.29 121.32 6.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 122.513 1.149 . . . . 50.0 108.874 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 127.49 3.519 . . . . 25.0 110.421 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.284 0 N-CA-C 116.693 1.437 . . . . 25.0 116.693 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -60.65 -31.76 49.97 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.407 -0.896 . . . . 50.0 111.663 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.27 -48.69 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 119.465 -0.894 . . . . 50.0 110.612 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.95 -37.04 85.96 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -69.39 -33.75 73.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -21.32 13.89 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.347 1.24 . . . . 50.0 114.347 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.08 -22.98 63.97 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.018 -1.051 . . . . 25.0 109.816 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.7 p -105.21 149.21 26.14 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m 59.11 176.73 0.07 Allowed 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mm -91.6 129.17 42.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 N-CA-C 108.169 -1.049 . . . . 50.0 108.169 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.66 146.02 38.42 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 119.311 -0.376 . . . . 25.0 111.069 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -122.28 134.33 54.67 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 107.28 -1.378 . . . . 50.0 107.28 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.83 -32.66 73.91 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.096 -0.641 . . . . 75.0 110.211 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -52.82 -54.07 39.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 123.993 0.808 . . . . 50.0 109.519 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.17 -39.87 93.53 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.61 -0.681 . . . . 50.0 111.096 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.13 -40.72 98.4 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.635 -0.826 . . . . 50.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.23 -23.38 65.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.007 -0.677 . . . . 50.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.44 -16.43 62.38 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 118.106 -0.95 . . . . 50.0 110.745 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.31 -14.06 60.47 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.695 -0.854 . . . . 50.0 108.695 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.8 t -107.51 -59.55 1.81 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 123.899 1.809 . . . . 25.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 124.36 2.029 . . . . 50.0 109.521 -176.554 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.196 -1.745 0 CA-C-O 121.688 0.756 . . . . 25.0 112.566 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.77 140.18 46.55 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 C-N-CA 124.183 0.993 . . . . 25.0 108.854 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.07 97.4 10.71 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.37 175.27 12.41 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 122.969 1.366 . . . . 50.0 107.699 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -75.84 146.76 39.63 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 105.796 -1.927 . . . . 50.0 105.796 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.95 125.51 44.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.56 167.0 31.8 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.352 -1.351 . . . . 50.0 107.352 -176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.83 -150.12 48.64 Favored Glycine 0 C--O 1.21 -1.357 0 N-CA-C 108.93 -1.668 . . . . 25.0 108.93 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 -35.56 80.78 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.422 0.719 . . . . 50.0 112.518 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.41 -35.61 74.3 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 117.777 -1.106 . . . . 50.0 113.232 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.35 -53.01 62.38 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.729 0.643 . . . . 50.0 111.968 172.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.72 -22.66 16.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.952 0 O-C-N 121.174 -0.953 . . . . 50.0 110.06 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -75.92 -40.27 54.58 Favored 'General case' 0 C--O 1.185 -2.302 0 CA-C-N 115.114 -0.948 . . . . 50.0 111.103 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.7 95.89 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.749 -0.595 . . . . 25.0 111.879 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.13 -40.85 98.79 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 124.114 0.883 . . . . 50.0 111.447 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.16 -40.57 94.52 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.952 -1.023 . . . . 25.0 110.817 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.41 -43.77 98.3 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.673 0.669 . . . . 50.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.34 -22.58 14.37 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 117.403 -1.719 . . . . 75.0 114.74 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 24.5 t -95.57 -45.0 7.24 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.47 -3.44 82.1 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 120.464 -1.398 . . . . 25.0 114.284 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 132.34 42.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 121.291 -1.123 . . . . 50.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -83.24 -13.19 55.83 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 121.658 0.742 . . . . 25.0 110.838 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.0 42.21 3.09 Favored Glycine 0 C--O 1.207 -1.543 0 N-CA-C 115.313 0.885 . . . . 25.0 115.313 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.88 -56.73 4.26 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.066 -1.255 . . . . 50.0 111.203 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -145.54 34.06 1.05 Allowed 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 113.333 0.864 . . . . 50.0 113.333 -176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 62.2 t80 66.02 120.98 0.02 OUTLIER 'General case' 0 C--O 1.182 -2.473 0 C-N-CA 126.048 1.739 . . . . 25.0 114.637 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -140.29 134.84 15.68 Favored Pre-proline 0 C--O 1.245 0.861 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.04 152.53 82.03 Favored 'Trans proline' 0 C--O 1.204 -1.185 0 C-N-CA 116.528 -1.848 . . . . 25.0 110.771 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -53.43 -44.5 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.252 -0.886 . . . . 50.0 112.706 -176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.52 3.069 0 CA-C-O 126.057 2.837 . . . . 25.0 110.326 -178.319 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.585 ' N ' ' HE2' ' A' ' 4' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 123.863 1.813 . . . . 25.0 115.997 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 tt -47.6 -47.6 10.88 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.621 0 N-CA-C 114.797 1.406 . . . . 50.0 114.797 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.21 -47.13 82.48 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 C-N-CA 119.598 -0.841 . . . . 50.0 111.312 -173.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' HE2' ' N ' ' A' ' 1' ' ' GLY . 13.3 pt-20 -69.45 -35.28 75.51 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 118.133 -0.937 . . . . 25.0 108.842 -175.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.48 -46.2 67.21 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 120.202 1.364 . . . . 25.0 110.118 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -77.59 -13.73 59.83 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 119.859 1.209 . . . . 50.0 113.625 -175.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -84.56 -13.92 50.37 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.82 -6.46 7.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.735 -176.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -142.6 169.19 18.03 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.44 0.638 . . . . 25.0 109.676 175.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.46 93.06 4.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 123.18 1.467 . . . . 50.0 109.664 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.06 129.23 37.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.313 -1.365 . . . . 25.0 107.313 177.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -93.13 168.34 11.18 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' B' ' 31' ' ' PHE . 8.2 tt -62.68 -32.89 74.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 118.691 0.678 . . . . 50.0 109.176 175.065 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -55.82 -39.41 71.34 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.018 -0.992 . . . . 50.0 111.117 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -90.41 -35.99 14.85 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 120.803 -1.186 . . . . 50.0 111.204 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.13 -29.87 70.63 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 115.975 -0.557 . . . . 50.0 112.231 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.08 -25.31 58.52 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 114.186 1.18 . . . . 50.0 114.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.24 -22.81 65.67 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.748 -1.22 . . . . 50.0 110.09 -178.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -82.69 -2.27 53.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.515 0.509 . . . . 50.0 109.783 176.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.63 43.84 1.97 Allowed 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 125.594 2.616 . . . . 50.0 113.741 -178.509 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.488 ' CD1' HD12 ' A' ' 13' ' ' LEU . 73.3 t80 . . . . . 0 C--O 1.186 -2.261 0 CA-C-O 124.726 2.203 . . . . 25.0 112.001 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.27 114.02 44.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 119.335 -2.103 . . . . 25.0 109.784 176.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.73 137.37 39.3 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.358 -1.349 . . . . 50.0 107.358 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -159.36 169.02 24.91 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.623 -0.717 . . . . 50.0 112.039 -171.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -72.15 144.75 48.48 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 106.549 -1.649 . . . . 50.0 106.549 -178.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.27 94.76 2.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.663 -175.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 t -130.89 161.12 32.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 105.847 -1.908 . . . . 50.0 105.847 173.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.7 -144.34 46.81 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 124.024 0.827 . . . . 25.0 113.09 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -65.35 -26.47 68.04 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.312 -1.444 . . . . 50.0 111.529 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -38.27 72.35 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.617 -0.833 . . . . 50.0 111.171 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.71 -42.21 97.98 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 118.788 -0.625 . . . . 50.0 111.293 -179.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -71.83 -36.47 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 122.81 1.29 . . . . 50.0 109.779 -177.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.04 -52.32 63.3 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.304 -0.998 . . . . 50.0 108.304 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.45 86.7 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.89 -40.43 96.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.479 . . . . 50.0 109.705 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.99 -43.17 99.41 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.86 -40.01 87.72 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 112.274 0.472 . . . . 50.0 112.274 -178.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.94 -36.36 73.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 108.044 -1.095 . . . . 50.0 108.044 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 98.6 m -67.91 -31.56 71.43 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 174.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.67 -83.53 0.35 Allowed Glycine 0 C--O 1.247 0.927 0 CA-C-O 121.833 0.685 . . . . 25.0 112.248 176.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -153.03 22.91 0.57 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.224 -1.028 . . . . 50.0 108.224 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -59.7 -48.07 83.13 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 119.97 -0.692 . . . . 25.0 112.77 -173.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.69 106.52 0.25 Allowed Glycine 0 C--O 1.198 -2.113 0 N-CA-C 110.315 -1.114 . . . . 25.0 110.315 -173.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -77.03 -21.18 54.95 Favored 'General case' 0 C--O 1.269 2.116 0 O-C-N 120.238 -1.742 . . . . 50.0 112.535 -179.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -157.27 132.5 9.01 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 108.118 -1.067 . . . . 50.0 108.118 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -153.09 150.54 29.22 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 106.74 -1.578 . . . . 25.0 106.74 176.342 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.71 96.08 47.51 Favored Pre-proline 0 N--CA 1.443 -0.795 0 CA-C-O 122.116 0.96 . . . . 25.0 111.233 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.85 173.0 15.23 Favored 'Trans proline' 0 C--O 1.207 -1.063 0 C-N-CA 121.477 1.451 . . . . 25.0 112.386 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -125.01 -7.02 7.2 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 122.562 1.173 . . . . 50.0 112.476 172.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.201 -1.498 0 O-C-N 119.725 -1.859 . . . . 25.0 109.423 -177.927 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.147 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt -47.96 -43.78 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.436 0.694 . . . . 50.0 112.201 -175.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.59 -53.93 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.814 -0.554 . . . . 50.0 111.691 -174.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -70.44 -27.29 64.15 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 120.086 -0.646 . . . . 25.0 109.912 -176.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -69.87 -43.19 72.38 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.669 0.747 . . . . 25.0 111.429 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.86 -30.39 26.49 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 115.853 -0.612 . . . . 50.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.16 -42.67 75.59 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 115.674 1.731 . . . . 25.0 115.674 176.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -80.44 -5.07 55.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.003 -0.544 . . . . 25.0 111.478 -172.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -137.65 166.53 23.7 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.592 0.557 . . . . 25.0 110.716 -176.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.05 123.89 26.16 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 N-CA-C 103.21 -2.885 . . . . 50.0 103.21 173.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 110.42 18.58 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.226 -178.251 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.89 143.02 51.13 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 123.917 0.76 . . . . 50.0 110.867 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.27 -47.19 86.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 121.536 -0.727 . . . . 50.0 111.313 176.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.19 -38.45 70.98 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 113.254 0.835 . . . . 50.0 113.254 -179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -73.11 -41.0 64.5 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.941 -0.474 . . . . 50.0 109.962 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.82 -29.03 69.97 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.891 0.853 . . . . 50.0 110.082 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.26 -20.35 66.38 Favored 'General case' 0 C--O 1.193 -1.884 0 CA-C-N 115.474 -0.785 . . . . 50.0 111.655 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.84 -17.85 61.01 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 121.016 -1.053 . . . . 50.0 108.386 -176.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -95.79 8.85 42.38 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 123.342 0.657 . . . . 50.0 109.703 179.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.26 124.33 19.97 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 123.231 1.491 . . . . 25.0 110.283 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.496 1.119 . . . . 50.0 111.176 -179.577 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.2 -1.518 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.6 t -79.71 128.63 38.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 105.918 -1.882 . . . . 25.0 105.918 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -109.77 138.76 45.67 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 123.366 1.555 . . . . 50.0 110.948 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.13 176.39 9.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.167 -0.924 . . . . 50.0 109.494 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -85.42 87.61 7.41 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.328 1.061 . . . . 50.0 108.428 167.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -87.11 111.42 20.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 104.952 -2.24 . . . . 50.0 104.952 -168.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 m -105.03 -82.26 0.52 Allowed 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 116.273 1.953 . . . . 50.0 116.273 -177.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.67 -94.67 2.02 Favored Glycine 0 N--CA 1.484 1.841 0 C-N-CA 119.623 -1.275 . . . . 25.0 115.11 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -57.76 -42.24 83.61 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.797 1.284 . . . . 50.0 112.617 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -57.67 -36.38 71.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 121.159 -0.963 . . . . 50.0 111.926 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.29 -51.65 50.22 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-N 118.903 0.774 . . . . 50.0 109.317 -174.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -29.22 37.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 125.355 1.659 . . . . 50.0 108.291 -175.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -71.19 -40.7 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.521 0.677 . . . . 50.0 112.597 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.73 74.56 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 121.292 -0.88 . . . . 25.0 108.663 176.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.41 -30.6 70.4 Favored 'General case' 0 N--CA 1.428 -1.535 0 O-C-N 121.372 -0.83 . . . . 50.0 111.631 176.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -63.67 -40.33 96.56 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.595 -1.316 . . . . 25.0 113.085 170.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.06 -38.08 89.79 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.804 -1.159 . . . . 50.0 109.85 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.54 -52.84 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.371 0.668 . . . . 75.0 112.063 -175.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 69.1 m -148.07 53.4 1.03 Allowed 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 120.518 -0.473 . . . . 25.0 111.13 -177.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.51 46.69 3.1 Favored Glycine 0 CA--C 1.492 -1.378 0 CA-C-N 115.85 -0.613 . . . . 25.0 114.369 175.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -48.68 69.31 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 112.874 0.694 . . . . 50.0 112.874 -171.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.79 -16.56 19.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.036 0.922 . . . . 25.0 110.144 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.98 150.81 9.64 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.732 -172.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -103.91 -38.14 7.13 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 121.137 0.494 . . . . 50.0 111.272 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -167.89 158.72 10.91 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 106.199 -1.778 . . . . 50.0 106.199 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -150.92 160.79 43.68 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.5 t -118.18 79.96 15.05 Favored Pre-proline 0 CA--C 1.553 1.065 0 CA-C-O 121.887 0.851 . . . . 25.0 108.828 176.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.16 157.19 60.39 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 117.697 -1.068 . . . . 25.0 114.279 176.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -142.92 -63.04 0.42 Allowed 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.12 -0.945 . . . . 50.0 113.335 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 CA--C 1.556 1.201 0 CA-C-O 125.731 2.682 . . . . 25.0 109.161 179.64 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 3.836 0 N-CA-C 119.124 2.41 . . . . 25.0 119.124 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 tt -52.64 -44.95 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 CA-C-N 114.022 -1.089 . . . . 50.0 112.755 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.98 -55.59 21.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 120.285 -1.51 . . . . 50.0 112.686 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.75 -37.41 87.27 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.312 -1.736 . . . . 25.0 106.312 -175.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 124.049 0.843 . . . . 25.0 110.76 -178.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -84.43 -17.78 38.11 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.788 1.28 . . . . 50.0 114.007 -179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.77 -43.6 16.55 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.243 -0.911 . . . . 25.0 113.03 174.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -76.07 -26.61 56.67 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.603 1.192 . . . . 25.0 111.935 -175.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -138.08 146.95 43.55 Favored 'General case' 0 CA--C 1.477 -1.858 0 N-CA-C 104.727 -2.323 . . . . 25.0 104.727 173.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.95 119.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -177.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 m -64.18 126.71 28.63 Favored 'General case' 0 C--O 1.244 0.81 0 O-C-N 121.619 -0.675 . . . . 25.0 110.133 171.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -74.61 152.85 39.19 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 119.375 -0.93 . . . . 50.0 109.002 178.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -59.11 -32.29 69.69 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.725 0.774 . . . . 50.0 111.104 -177.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.44 -39.93 95.8 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.022 1.329 . . . . 50.0 110.83 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -82.11 -27.84 32.59 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.973 -1.091 . . . . 50.0 109.075 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.27 -36.23 82.43 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.475 0.655 . . . . 50.0 111.662 179.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.7 -26.21 63.64 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.845 -1.071 . . . . 50.0 113.408 172.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -69.75 -21.09 63.48 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.712 -0.677 . . . . 50.0 110.287 -177.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.65 -6.41 59.35 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.898 -0.501 . . . . 50.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -82.17 109.62 16.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 123.596 1.665 . . . . 50.0 113.555 -177.319 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -67.13 117.39 8.2 Favored 'Isoleucine or valine' 0 C--O 1.259 1.593 0 O-C-N 120.885 -1.134 . . . . 25.0 109.131 -178.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -70.79 148.06 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.875 1.065 . . . . 50.0 113.875 -176.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -160.02 178.11 10.05 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.226 -1.027 . . . . 50.0 108.226 175.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -81.56 93.47 6.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.636 -1.616 . . . . 50.0 106.636 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.41 98.87 1.49 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.935 -1.135 . . . . 50.0 107.935 -175.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 m -139.01 167.44 22.04 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 106.61 -1.626 . . . . 50.0 106.61 177.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.49 68.18 1.81 Allowed Glycine 0 C--O 1.221 -0.682 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.218 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m 71.11 -26.03 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.81 1.411 . . . . 50.0 114.81 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -60.8 -35.49 76.61 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.894 1.072 . . . . 50.0 113.894 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.54 -51.34 69.01 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.874 0.368 . . . . 50.0 111.736 -178.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -72.67 -29.72 31.26 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-O 121.494 0.664 . . . . 50.0 109.729 -177.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -42.5 74.67 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.901 -1.124 . . . . 50.0 109.088 177.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.04 99.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.047 1.403 . . . . 25.0 109.511 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -38.36 87.63 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 113.672 -1.603 . . . . 50.0 109.047 -178.235 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.66 -37.9 85.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.859 1.059 . . . . 25.0 113.859 173.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.37 -36.74 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.343 -0.223 . . . . 50.0 111.552 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.45 -28.59 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 115.461 1.652 . . . . 50.0 115.461 -178.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.55 33.23 0.27 Allowed 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.484 0.659 . . . . 25.0 112.169 -175.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.9 -60.74 4.08 Favored Glycine 0 C--O 1.195 -2.289 0 O-C-N 120.468 -1.395 . . . . 25.0 113.436 176.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 47.11 48.77 15.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 115.71 1.745 . . . . 50.0 115.71 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 58.95 19.68 7.39 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.724 1.379 . . . . 25.0 114.724 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.84 -132.62 6.85 Favored Glycine 0 C--O 1.263 1.915 0 N-CA-C 108.872 -1.691 . . . . 25.0 108.872 173.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.52 21.19 12.47 Favored 'General case' 0 C--O 1.27 2.162 0 N-CA-C 114.771 1.397 . . . . 50.0 114.771 178.18 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 35.3 t80 54.73 41.37 31.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 123.857 1.789 . . . . 50.0 110.12 175.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -131.99 151.11 51.93 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 111.901 -2.408 . . . . 25.0 105.972 172.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.6 p -117.2 90.31 33.41 Favored Pre-proline 0 C--O 1.256 1.432 0 C-N-CA 121.107 -0.237 . . . . 25.0 111.379 -176.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.77 135.84 22.22 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 115.995 -2.203 . . . . 25.0 112.479 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -157.83 33.39 0.26 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 113.917 -1.492 . . . . 50.0 114.442 178.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.521 3.111 0 C-N-CA 127.313 2.245 . . . . 25.0 116.17 -179.993 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.556 0 N-CA-C 118.407 2.123 . . . . 25.0 118.407 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.1 tt -53.04 -45.58 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.251 -1.146 . . . . 50.0 112.648 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.04 -50.14 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.162 -0.961 . . . . 50.0 113.049 176.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.98 -26.1 64.86 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.612 -1.305 . . . . 25.0 110.074 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -72.24 -38.86 68.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 122.787 1.279 . . . . 25.0 112.312 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 t -93.35 -38.3 11.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.204 1.187 . . . . 50.0 114.204 -174.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -62.09 -23.32 66.44 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -86.99 -5.05 59.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.923 -178.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -138.04 -178.28 5.2 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.083 -1.011 . . . . 25.0 111.158 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 mm -89.31 114.97 28.21 Favored 'Isoleucine or valine' 0 C--O 1.258 1.512 0 N-CA-C 103.566 -2.753 . . . . 50.0 103.566 169.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 113.29 10.21 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 122.085 -0.385 . . . . 25.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 136.89 53.51 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 174.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.91 -22.99 64.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 118.863 0.756 . . . . 50.0 110.924 178.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.85 -37.21 85.57 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 122.721 1.248 . . . . 50.0 109.346 174.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.57 -37.22 60.07 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.688 -1.142 . . . . 50.0 108.4 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.25 -40.24 95.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 124.554 1.159 . . . . 50.0 109.49 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.97 -24.86 66.42 Favored 'General case' 0 C--O 1.255 1.355 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 177.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.58 -17.37 62.3 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.931 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -78.67 -4.21 47.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.652 -0.869 . . . . 50.0 108.652 175.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.3 t -152.97 56.93 0.79 Allowed 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 -173.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 126.041 2.829 . . . . 50.0 109.995 -172.335 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -125.89 148.55 30.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 CA-C-O 122.044 0.926 . . . . 25.0 108.987 -176.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -84.09 113.16 20.85 Favored 'General case' 0 C--O 1.192 -1.929 0 N-CA-C 108.566 -0.901 . . . . 50.0 108.566 173.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.36 154.44 40.9 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.268 1.032 . . . . 50.0 110.71 -175.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -77.9 68.25 3.92 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 123.551 1.643 . . . . 50.0 111.606 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.4 126.37 27.12 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.563 -1.335 . . . . 50.0 108.575 -175.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -137.04 -60.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 114.175 1.176 . . . . 50.0 114.175 -170.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 -147.55 4.07 Favored Glycine 0 C--O 1.258 1.595 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 175.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -61.51 -14.85 32.68 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.13 -1.217 . . . . 50.0 112.233 -176.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -60.57 -37.29 80.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 112.251 0.463 . . . . 50.0 112.251 171.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.46 -40.66 97.7 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 124.567 1.167 . . . . 50.0 110.951 -178.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.86 -41.25 79.63 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 122.994 1.378 . . . . 50.0 108.229 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -68.13 -38.26 82.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.392 -1.276 . . . . 50.0 112.091 -178.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.93 94.61 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.563 -1.335 . . . . 25.0 111.832 174.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.42 ' HA ' HG21 ' B' ' 48' ' ' VAL . 6.3 tt -62.93 -43.48 98.68 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 115.138 -0.937 . . . . 50.0 109.502 -179.234 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -46.23 89.8 Favored 'General case' 0 CA--C 1.499 -1.011 0 C-N-CA 119.358 -0.937 . . . . 25.0 109.855 177.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.78 -33.74 75.8 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.081 1.141 . . . . 50.0 114.081 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' B' ' 45' ' ' LEU . 22.1 m -81.65 -32.32 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 119.751 1.159 . . . . 50.0 110.978 -179.661 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.87 -49.31 12.12 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 122.302 1.049 . . . . 25.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.9 -84.71 0.68 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 121.209 -0.932 . . . . 25.0 113.919 -178.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -60.42 127.66 32.83 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.277 0.843 . . . . 50.0 113.277 -177.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 54.14 46.34 25.58 Favored 'General case' 0 C--O 1.196 -1.731 0 N-CA-C 114.069 1.137 . . . . 25.0 114.069 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.71 -168.8 10.16 Favored Glycine 0 C--O 1.214 -1.132 0 CA-C-N 115.749 -0.66 . . . . 25.0 113.296 176.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.33 -42.08 94.92 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 118.489 -1.284 . . . . 50.0 113.235 -179.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -153.41 147.33 25.41 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.652 -1.981 . . . . 50.0 105.652 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -147.68 105.39 3.7 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 118.842 0.746 . . . . 25.0 109.141 -175.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -132.01 112.69 14.71 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 174.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.37 157.58 56.36 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 116.141 -2.106 . . . . 25.0 111.195 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -119.65 -23.97 6.38 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 114.319 -1.31 . . . . 50.0 112.868 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 CA-C-N 112.749 -2.023 . . . . 25.0 110.49 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 CA-C-O 123.469 1.594 . . . . 25.0 115.95 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -58.59 -39.95 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.466 -1.608 . . . . 50.0 112.841 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -70.44 -44.61 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.381 -0.824 . . . . 50.0 111.237 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.1 -38.21 85.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.873 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -72.11 -54.55 9.43 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.097 0.475 . . . . 25.0 110.522 179.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.9 -23.33 63.22 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 115.771 1.767 . . . . 50.0 115.771 -173.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -22.17 66.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.511 -0.875 . . . . 25.0 111.199 177.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -126.22 27.65 6.2 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.772 0.796 . . . . 25.0 109.088 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -141.98 172.31 12.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.436 0.636 . . . . 25.0 109.401 177.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.52 -42.05 25.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.509 -1.293 . . . . 50.0 107.509 175.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 m 49.0 57.4 6.49 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.754 0.788 . . . . 25.0 110.537 -173.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.36 157.1 20.66 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.921 -1.491 . . . . 50.0 110.613 -175.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.89 62.69 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -177.116 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.31 -36.78 84.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.725 0.774 . . . . 50.0 112.019 178.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -87.65 -38.74 15.63 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 177.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.57 -33.33 68.04 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 114.871 1.434 . . . . 50.0 114.871 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -63.95 -19.62 65.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.764 -0.585 . . . . 50.0 110.504 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -66.72 -25.73 66.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 120.885 -1.135 . . . . 50.0 110.208 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -77.74 -7.71 56.93 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.878 -0.514 . . . . 50.0 110.658 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.56 8.16 27.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.538 0.685 . . . . 25.0 109.616 170.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 121.917 0.865 . . . . 50.0 110.919 177.745 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 122.159 0.98 . . . . 25.0 112.704 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.85 117.43 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 123.823 1.773 . . . . 25.0 110.591 -177.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -82.05 116.98 21.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.576 -1.328 . . . . 50.0 111.749 -178.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -154.69 165.12 37.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.196 -1.779 . . . . 50.0 106.196 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -65.95 143.99 57.05 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 120.531 -0.468 . . . . 50.0 110.645 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 147.73 29.73 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.667 0.746 . . . . 50.0 112.054 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -161.65 166.23 27.1 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 106.435 -1.691 . . . . 50.0 106.435 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.07 -141.79 47.59 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 120.072 -1.061 . . . . 25.0 111.606 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -59.73 -29.03 67.85 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.618 0.97 . . . . 50.0 113.618 178.103 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -65.34 -33.72 76.63 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.24 -0.912 . . . . 50.0 109.454 -176.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.51 -52.61 51.47 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 116.118 -0.492 . . . . 50.0 109.697 -178.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.66 -26.7 31.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.082 -176.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.25 -41.18 67.07 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.465 -0.772 . . . . 50.0 111.526 175.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.06 94.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.712 -1.243 . . . . 25.0 108.564 177.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.89 -42.74 99.43 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.597 0.561 . . . . 50.0 111.421 177.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.54 -44.64 95.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 122.37 0.268 . . . . 25.0 111.321 178.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.28 -39.81 86.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.316 1.01 . . . . 50.0 111.982 -177.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.97 -42.36 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.919 0.781 . . . . 50.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.05 77.07 0.11 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-O 121.68 0.752 . . . . 25.0 110.588 177.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.92 -119.37 0.13 Allowed Glycine 0 C--O 1.22 -0.748 0 N-CA-C 119.777 2.671 . . . . 25.0 119.777 178.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 60.74 25.39 15.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.206 0.817 . . . . 50.0 113.206 -176.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -114.96 2.29 14.22 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.55 0.944 . . . . 25.0 113.55 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.5 -49.15 4.19 Favored Glycine 0 C--O 1.212 -1.233 0 C-N-CA 120.313 -0.946 . . . . 25.0 115.178 176.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 50.53 65.87 1.33 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.232 1.567 . . . . 50.0 115.232 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.39 148.43 41.58 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 114.788 1.403 . . . . 50.0 114.788 -179.786 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 7.6 t80 60.6 101.99 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 117.237 2.31 . . . . 25.0 117.237 -178.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.26 106.99 6.13 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 114.361 -1.29 . . . . 25.0 108.849 174.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.03 148.67 51.36 Favored 'Trans proline' 0 C--O 1.247 0.961 0 C-N-CA 117.218 -1.388 . . . . 25.0 112.465 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -107.13 -26.21 11.21 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 114.71 -1.132 . . . . 50.0 112.018 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 124.04 1.876 . . . . 25.0 113.368 -175.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.378 0 N-CA-C 116.185 1.234 . . . . 25.0 116.185 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -43.37 -44.35 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.415 0 C-N-CA 125.483 1.513 . . . . 50.0 113.943 -170.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.5 -44.19 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 108.843 -0.799 . . . . 50.0 108.843 -174.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.82 -40.36 75.96 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.519 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.18 -44.87 92.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.2 -32.96 19.52 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 117.748 2.499 . . . . 50.0 117.748 -176.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.6 t -66.96 -34.83 78.63 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 -176.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -97.75 142.71 29.19 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t 53.81 45.31 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.668 1.23 . . . . 25.0 110.559 178.091 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt 0.1 99.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.253 1.269 0 CA-C-N 112.297 -2.229 . . . . 50.0 116.5 -178.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -63.47 161.23 14.76 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 110.372 -0.233 . . . . 25.0 110.372 177.058 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.6 p -87.73 151.9 22.55 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 119.125 -0.465 . . . . 50.0 112.106 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.99 -17.39 63.29 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 119.978 1.263 . . . . 50.0 111.035 178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.93 -37.27 75.86 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.849 0.833 . . . . 50.0 110.756 176.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -72.75 -44.54 61.49 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.648 -0.705 . . . . 50.0 109.302 172.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 tp -57.69 -35.17 70.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.948 0.351 . . . . 50.0 111.948 -176.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.1 -31.39 71.08 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 118.433 -0.794 . . . . 50.0 111.996 174.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -18.67 64.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.854 1.206 . . . . 50.0 111.927 178.156 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -74.61 -19.59 60.24 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 119.449 -0.9 . . . . 50.0 111.495 177.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -158.79 98.63 1.51 Allowed 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.572 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.378 1.827 0 C-N-CA 126.201 1.8 . . . . 50.0 110.742 177.237 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 123.922 1.82 . . . . 25.0 114.256 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.58 130.13 26.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -178.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -80.56 107.94 13.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.403 0.621 . . . . 50.0 109.864 176.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -152.81 172.08 17.27 Favored 'General case' 0 C--O 1.253 1.246 0 N-CA-C 106.844 -1.539 . . . . 50.0 106.844 -179.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.92 74.17 0.61 Allowed 'General case' 0 CA--C 1.558 1.285 0 O-C-N 121.223 -0.923 . . . . 50.0 112.055 175.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.98 121.48 14.76 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 119.981 -1.7 . . . . 50.0 108.685 178.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 -130.97 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.862 -1.063 . . . . 50.0 109.511 -171.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -31.61 104.76 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 116.476 1.351 . . . . 25.0 116.476 177.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.18 -44.24 0.34 Allowed 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 127.172 2.189 . . . . 50.0 116.565 -176.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -37.32 74.59 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 112.672 0.619 . . . . 50.0 112.672 -178.254 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.64 -49.68 67.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.014 -1.469 . . . . 50.0 113.503 175.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.77 -24.58 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 CA-C-N 120.085 1.312 . . . . 50.0 110.597 -178.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.22 -40.33 82.14 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 119.72 -0.792 . . . . 50.0 112.659 172.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.36 84.21 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.878 0.847 . . . . 25.0 111.872 175.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.88 -44.33 94.25 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-N 114.137 -1.392 . . . . 50.0 108.99 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.47 -40.7 97.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.155 -0.966 . . . . 25.0 109.879 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.2 -41.08 99.12 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 120.199 -0.6 . . . . 50.0 110.164 -176.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 32.6 m -80.36 -20.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 112.786 0.662 . . . . 50.0 112.786 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.8 t -96.47 -58.09 2.15 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.63 -58.74 4.99 Favored Glycine 0 N--CA 1.47 0.927 0 O-C-N 119.995 -1.69 . . . . 25.0 112.346 -173.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.43 -131.27 1.02 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.496 -0.927 . . . . 50.0 108.496 -178.428 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -119.59 29.18 7.74 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 104.21 -2.515 . . . . 25.0 104.21 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 167.7 27.41 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 106.424 -2.67 . . . . 25.0 106.424 -169.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.92 -96.5 0.44 Allowed 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 119.472 1.636 . . . . 50.0 111.583 178.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -129.55 35.75 4.18 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-O 121.432 0.634 . . . . 50.0 110.508 175.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -147.1 152.07 37.89 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 174.219 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -125.19 117.6 25.42 Favored Pre-proline 0 C--O 1.26 1.651 0 CA-C-N 118.318 0.508 . . . . 25.0 110.768 177.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -78.44 173.24 14.05 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 115.887 -2.275 . . . . 25.0 112.576 -177.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -136.57 92.9 2.81 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 106.745 -1.576 . . . . 50.0 106.745 172.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 124.064 1.888 . . . . 25.0 111.607 -174.831 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.933 0 N-CA-C 117.977 1.951 . . . . 25.0 117.977 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.37 -34.23 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-O 123.186 1.47 . . . . 50.0 112.444 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.61 -54.91 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 119.038 -2.289 . . . . 50.0 110.557 177.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -28.88 63.12 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.586 -0.846 . . . . 25.0 109.878 -171.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.86 -54.59 32.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 171.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -20.51 52.58 Favored 'General case' 0 C--O 1.181 -2.538 0 C-N-CA 117.529 -1.668 . . . . 50.0 112.558 -171.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.37 -10.04 59.1 Favored 'General case' 0 C--O 1.26 1.652 0 O-C-N 121.154 -0.966 . . . . 25.0 112.615 -179.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -119.05 -10.94 9.72 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 123.61 0.569 . . . . 25.0 111.83 179.047 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -123.6 165.28 17.44 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.053 -1.029 . . . . 25.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.47 133.24 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 103.217 -2.882 . . . . 50.0 103.217 172.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.73 116.01 21.9 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.807 1.289 . . . . 25.0 111.442 -177.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.52 34.99 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.615 -1.995 . . . . 50.0 105.615 176.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.26 -31.64 71.26 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.377 0.989 . . . . 75.0 109.833 177.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.31 -43.18 96.57 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.906 -1.146 . . . . 50.0 107.906 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -75.98 -38.6 57.27 Favored 'General case' 0 N--CA 1.425 -1.688 0 C-N-CA 119.86 -0.736 . . . . 50.0 112.037 178.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -33.71 75.04 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.093 -0.379 . . . . 50.0 110.118 -177.159 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.71 -17.79 65.04 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.717 1.377 . . . . 50.0 114.717 178.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -72.85 -18.63 61.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.218 -2.176 . . . . 50.0 111.545 172.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.49 -13.79 59.84 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 123.087 1.422 . . . . 50.0 109.4 175.152 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -104.8 31.29 4.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 123.711 1.72 . . . . 25.0 109.106 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--O 1.194 -1.823 0 CA-C-O 123.711 1.72 . . . . 50.0 115.322 176.436 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.193 -1.881 0 CA-C-O 121.361 0.6 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -116.63 140.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.016 -1.677 . . . . 25.0 110.863 174.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -79.08 88.35 4.82 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 110.263 -0.273 . . . . 50.0 110.263 176.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -140.46 169.36 17.8 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.07 135.78 49.61 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.021 -2.214 . . . . 50.0 105.021 172.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -132.13 127.04 35.12 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.782 -0.574 . . . . 50.0 109.788 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -139.67 176.38 8.78 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 35.55 -124.85 0.71 Allowed Glycine 0 C--O 1.261 1.806 0 N-CA-C 116.401 1.32 . . . . 25.0 116.401 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.2 p -66.5 -30.55 70.91 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 115.35 1.611 . . . . 50.0 115.35 -174.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -69.2 -37.85 78.31 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.375 -0.828 . . . . 50.0 110.054 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.72 -48.14 67.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.225 1.194 . . . . 50.0 114.225 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.61 -26.28 23.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 118.524 -1.27 . . . . 50.0 110.129 -178.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -48.31 80.07 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.09 -0.644 . . . . 50.0 112.099 171.721 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.38 92.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.348 -0.842 . . . . 25.0 109.956 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.68 -28.39 69.04 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.449 0.907 . . . . 50.0 113.449 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.09 -35.94 66.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 119.653 -1.904 . . . . 25.0 111.254 172.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.04 -34.56 78.29 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.112 -0.992 . . . . 50.0 109.246 -177.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.36 -22.8 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.669 1.729 . . . . 50.0 115.669 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.85 15.18 1.55 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.651 1.352 . . . . 25.0 114.651 -171.687 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.21 -56.72 23.65 Favored Glycine 0 C--O 1.27 2.377 0 N-CA-C 120.004 2.762 . . . . 25.0 120.004 -175.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 39.49 -106.5 0.06 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -128.39 20.49 6.22 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 121.913 -0.492 . . . . 25.0 111.624 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.71 -71.23 1.3 Allowed Glycine 0 C--N 1.349 1.263 0 C-N-CA 119.83 -1.176 . . . . 25.0 112.387 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -58.81 -36.44 74.48 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 114.694 1.368 . . . . 50.0 114.694 -176.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -162.16 158.55 24.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 106.654 -1.609 . . . . 50.0 106.654 -177.368 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -159.64 117.05 2.65 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.704 0.288 . . . . 25.0 111.382 179.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -142.66 89.85 8.03 Favored Pre-proline 0 C--O 1.214 -0.78 0 O-C-N 124.331 1.019 . . . . 25.0 111.13 178.377 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.03 156.38 52.05 Favored 'Trans proline' 0 C--O 1.209 -0.952 0 C-N-CA 115.962 -2.226 . . . . 25.0 110.44 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -74.04 -31.95 63.12 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.173 -0.611 . . . . 50.0 111.4 175.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 C--O 1.186 -2.284 0 C-N-CA 124.692 1.197 . . . . 25.0 111.746 -177.664 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -2.272 0 CA-C-O 123.454 1.586 . . . . 25.0 113.764 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -57.26 -32.74 41.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 119.092 -2.417 . . . . 50.0 113.895 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 121.294 1.861 . . . . 50.0 110.426 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.25 -28.45 68.06 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 119.205 -0.998 . . . . 25.0 111.991 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -65.51 -48.89 71.02 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 122.357 1.075 . . . . 25.0 110.784 175.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -78.39 -23.47 46.78 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 120.531 -1.356 . . . . 50.0 113.128 -173.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -73.45 -22.79 60.09 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.471 -0.768 . . . . 25.0 112.854 175.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -113.41 -17.42 12.25 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 114.73 1.382 . . . . 25.0 114.73 -178.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -141.74 158.33 43.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -74.41 131.84 34.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 107.538 -1.282 . . . . 50.0 107.538 -178.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 p -118.65 161.76 19.54 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 171.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -146.4 -177.72 5.78 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.246 -0.909 . . . . 50.0 108.947 177.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.06 -36.9 66.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.33 -1.795 . . . . 50.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.31 -44.68 92.53 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 120.446 1.476 . . . . 50.0 112.52 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -73.79 -40.9 63.08 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.931 0.872 . . . . 50.0 109.108 177.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.6 -39.55 94.67 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.367 -0.833 . . . . 50.0 112.362 -172.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.23 -5.81 25.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.761 -0.776 . . . . 50.0 113.028 -179.263 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -70.28 -20.08 63.06 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 107.182 -1.414 . . . . 50.0 107.182 174.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -102.29 11.42 38.17 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.099 -1.001 . . . . 50.0 110.409 -178.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -3.32 58.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.067 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.188 -2.172 1 CA-C-O 129.261 4.362 . . . . 50.0 113.122 171.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.196 -1.759 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.93 132.87 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 CA-C-O 123.258 1.504 . . . . 25.0 109.399 176.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -77.0 129.22 35.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.592 -1.318 . . . . 50.0 109.238 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -147.65 175.26 11.02 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 -179.313 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -86.83 130.8 34.32 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 103.996 -2.594 . . . . 50.0 103.996 162.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.08 143.36 50.5 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 103.842 -2.651 . . . . 50.0 103.842 176.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -165.23 66.66 0.13 Allowed 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 122.655 1.217 . . . . 50.0 113.632 -171.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.47 -153.36 25.23 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 109.582 -1.407 . . . . 25.0 109.582 -174.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -59.67 -28.28 67.14 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 117.095 2.258 . . . . 50.0 117.095 -174.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -39.45 76.05 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 119.549 -0.86 . . . . 50.0 110.078 177.315 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.68 -52.91 25.86 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 -178.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.2 -41.3 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.274 -1.01 . . . . 50.0 108.274 -178.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -69.7 -48.17 60.57 Favored 'General case' 0 N--CA 1.519 2.976 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 -175.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.34 79.29 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.304 1.05 . . . . 25.0 111.119 176.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.25 -32.99 74.39 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 114.201 -1.363 . . . . 50.0 109.604 -175.421 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.38 -41.97 72.35 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.615 0.722 . . . . 25.0 111.947 173.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -58.52 -33.92 70.39 Favored 'General case' 0 C--O 1.265 1.88 0 CA-C-O 117.861 -1.066 . . . . 50.0 111.924 178.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -96.56 -43.66 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 115.293 1.59 . . . . 50.0 115.293 177.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 14.84 14.22 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.965 -1.084 . . . . 25.0 111.918 -169.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 7.71 0.84 Allowed Glycine 0 C--O 1.205 -1.698 0 CA-C-O 116.26 -2.411 . . . . 25.0 116.529 -177.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -67.71 -29.44 68.69 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.656 1.728 . . . . 50.0 109.925 176.582 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -148.17 5.46 0.75 Allowed 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 175.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.73 -34.48 56.42 Favored Glycine 0 N--CA 1.419 -2.473 0 N-CA-C 118.706 2.242 . . . . 25.0 118.706 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -147.73 170.68 17.04 Favored 'General case' 0 C--O 1.201 -1.472 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 173.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -145.2 138.59 26.61 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.686 -1.227 . . . . 50.0 107.686 172.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -154.11 155.43 35.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.451 -2.426 . . . . 25.0 104.451 177.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 m -117.33 88.69 28.92 Favored Pre-proline 0 C--N 1.354 0.771 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.32 176.33 8.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 121.735 0.334 . . . . 25.0 111.729 -178.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -79.27 109.78 13.92 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 105.851 -1.907 . . . . 50.0 105.851 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-O 123.871 1.796 . . . . 25.0 112.984 -176.227 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 123.468 1.593 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 tt -60.13 -40.84 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 O-C-N 120.632 -1.51 . . . . 50.0 108.179 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.69 -47.25 91.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.312 -0.858 . . . . 50.0 112.251 -179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.64 -13.22 56.85 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 118.993 0.815 . . . . 25.0 111.776 -177.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -81.8 -42.19 20.06 Favored 'General case' 0 C--O 1.202 -1.424 0 CA-C-N 117.718 0.236 . . . . 25.0 110.968 174.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 t -84.78 -57.45 3.11 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-O 122.047 0.927 . . . . 50.0 111.274 -176.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.44 73.2 7.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.053 -1.03 . . . . 25.0 111.222 -176.122 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -158.38 -27.62 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.734 176.606 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -146.47 39.68 1.08 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 121.849 0.833 . . . . 25.0 112.445 -175.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt 66.6 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 123.832 1.777 . . . . 50.0 112.588 -178.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.5 128.25 35.16 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 113.777 -1.556 . . . . 25.0 108.202 174.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -121.81 144.73 48.65 Favored 'General case' 0 CA--C 1.485 -1.541 0 N-CA-C 105.656 -1.979 . . . . 50.0 105.656 -174.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.12 -37.17 69.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.575 -1.193 . . . . 50.0 110.909 -176.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.38 -47.47 47.59 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.531 -0.747 . . . . 50.0 111.379 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -29.54 15.31 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.573 0.582 . . . . 50.0 112.573 -176.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -38.48 85.76 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 122.049 0.928 . . . . 50.0 113.334 177.139 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -22.34 65.5 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 121.005 -1.059 . . . . 50.0 109.928 176.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -68.17 -18.42 64.6 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.086 -1.634 . . . . 50.0 110.997 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -77.44 -0.8 27.28 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.32 -0.552 . . . . 50.0 111.204 177.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -77.8 128.58 34.23 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 121.416 0.627 . . . . 25.0 110.625 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 124.822 2.249 . . . . 50.0 112.013 174.228 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.92 133.38 66.25 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.718 0 N-CA-C 105.825 -1.916 . . . . 25.0 105.825 172.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -76.87 101.9 6.11 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.691 -1.966 . . . . 50.0 105.691 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -129.13 160.82 31.65 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 107.398 -1.334 . . . . 50.0 107.398 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -61.16 128.3 35.74 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.17 -0.956 . . . . 50.0 110.801 175.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.03 127.8 27.21 Favored 'General case' 0 C--O 1.209 -1.059 0 C-N-CA 124.46 1.104 . . . . 50.0 110.197 -178.286 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.54 164.45 37.58 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.702 0.683 . . . . 50.0 109.814 -176.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.28 -145.58 47.73 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 120.392 1.451 . . . . 25.0 112.147 172.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -57.99 -35.77 71.68 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 114.104 1.15 . . . . 50.0 114.104 179.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -60.47 -40.05 89.85 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.177 0.806 . . . . 50.0 113.177 -178.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.85 -46.88 67.35 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 123.08 1.419 . . . . 50.0 113.7 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.09 -34.03 57.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 114.526 -1.216 . . . . 50.0 109.587 -177.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.5 -41.04 73.16 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 122.391 1.091 . . . . 50.0 111.205 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.56 75.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.61 -41.37 98.94 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 122.431 0.292 . . . . 50.0 111.495 173.419 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.44 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 59.1 t80 -61.44 -40.44 94.47 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.114 -1.035 . . . . 25.0 113.004 175.104 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.23 -43.09 82.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.341 0.256 . . . . 50.0 110.755 -174.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.62 -32.58 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.641 0.588 . . . . 50.0 112.123 -177.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.22 39.57 0.01 OUTLIER 'General case' 0 CA--C 1.604 3.049 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -172.391 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -86.5 -162.97 37.79 Favored Glycine 0 C--O 1.242 0.599 0 N-CA-C 118.36 2.104 . . . . 25.0 118.36 -178.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.76 179.01 6.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.862 1.665 . . . . 50.0 114.705 -178.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.3 -16.2 64.13 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.611 1.338 . . . . 25.0 114.611 -178.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.78 0.0 79.08 Favored Glycine 0 C--O 1.184 -2.992 0 N-CA-C 116.376 1.31 . . . . 25.0 116.376 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.23 -11.0 59.98 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 116.714 2.116 . . . . 50.0 116.714 -173.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -140.74 135.6 31.71 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 123.866 0.867 . . . . 50.0 109.036 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -145.89 119.97 9.45 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.399 -177.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.8 p -136.04 80.45 41.72 Favored Pre-proline 0 N--CA 1.487 1.39 0 N-CA-C 117.105 2.261 . . . . 25.0 117.105 176.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -78.31 105.29 1.96 Allowed 'Trans proline' 0 CA--C 1.557 1.668 0 CA-C-O 122.272 0.863 . . . . 25.0 113.315 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -115.09 45.58 1.6 Allowed 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 122.89 1.329 . . . . 50.0 113.675 -173.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 O-C-N 121.313 -0.867 . . . . 25.0 111.155 176.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' H2 ' ' HG2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.514 3.852 0 CA-C-O 122.24 0.911 . . . . 25.0 111.111 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -33.48 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 114.979 -0.61 . . . . 50.0 110.243 172.852 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.93 -45.65 96.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 121.914 -0.491 . . . . 50.0 111.254 -177.298 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.46 ' HG2' ' H2 ' ' A' ' 1' ' ' GLY . 14.6 pt-20 -84.81 -22.29 29.57 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.295 -177.703 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.6 -34.75 74.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.145 0.578 . . . . 25.0 111.02 175.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.12 -43.82 11.99 Favored 'General case' 0 C--O 1.258 1.549 0 CA-C-O 119.268 -0.396 . . . . 50.0 110.508 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -82.12 54.24 2.46 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -177.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -152.66 -5.65 0.21 Allowed 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.496 1.617 . . . . 25.0 109.779 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -148.41 -179.5 7.0 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.003 -1.685 . . . . 25.0 107.037 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.34 125.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 104.269 -2.493 . . . . 50.0 104.269 164.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.55 125.78 35.72 Favored 'General case' 0 CA--C 1.584 2.275 0 O-C-N 120.922 -1.111 . . . . 25.0 109.861 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -89.87 153.05 20.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 122.016 0.912 . . . . 50.0 108.651 -176.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.46 -24.97 66.51 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.395 -1.275 . . . . 50.0 107.921 174.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -66.28 -42.97 87.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 123.291 0.636 . . . . 50.0 112.601 -176.117 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.64 -31.84 28.58 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 109.263 -0.643 . . . . 50.0 109.263 177.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.38 -40.67 71.62 Favored 'General case' 0 CA--C 1.564 1.511 0 O-C-N 121.189 -0.944 . . . . 50.0 112.416 172.189 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.16 -15.09 63.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.346 1.239 . . . . 50.0 114.346 176.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -73.7 -23.08 59.76 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 119.846 -0.742 . . . . 50.0 109.854 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -84.62 -2.98 58.23 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.69 0.619 . . . . 50.0 110.089 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -108.22 21.53 17.21 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.614 -176.168 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--O 1.199 -1.59 0 CA-C-O 122.91 1.338 . . . . 50.0 110.166 -177.294 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 116.018 1.859 . . . . 25.0 116.018 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.99 89.32 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 O-C-N 120.08 -1.637 . . . . 25.0 109.838 177.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.94 101.85 9.74 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 105.12 -2.178 . . . . 50.0 105.12 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -156.5 169.67 24.11 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.18 -1.575 . . . . 50.0 107.733 -168.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.5 83.4 1.49 Allowed 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 121.743 0.783 . . . . 50.0 109.113 165.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.65 121.6 24.88 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.313 -1.366 . . . . 50.0 107.313 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.01 -178.99 6.32 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 105.093 -2.188 . . . . 50.0 105.093 -176.163 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.29 -134.92 37.07 Favored Glycine 0 C--N 1.318 -0.454 0 N-CA-C 115.528 0.971 . . . . 25.0 115.528 171.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 95.3 p -77.02 -24.84 52.1 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.764 0.826 . . . . 50.0 113.127 178.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -64.28 -26.25 68.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 121.327 -0.858 . . . . 50.0 112.653 176.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.0 -53.74 18.95 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.718 -0.674 . . . . 50.0 110.225 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.56 -35.03 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 122.053 -0.404 . . . . 50.0 111.084 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -43.3 94.77 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.267 0.839 . . . . 50.0 113.267 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.85 81.71 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -179.183 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.3 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 107.789 -1.189 . . . . 50.0 107.789 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.45 -44.39 91.26 Favored 'General case' 0 C--O 1.248 0.98 0 O-C-N 120.934 -1.103 . . . . 25.0 112.838 176.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.48 -38.78 92.21 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.66 -29.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 C-N-CA 119.272 -0.971 . . . . 50.0 110.861 177.347 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -82.73 -46.7 12.85 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 119.585 -1.947 . . . . 25.0 112.517 -175.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.19 72.71 Favored Glycine 0 C--O 1.179 -3.3 0 O-C-N 120.998 -1.064 . . . . 25.0 113.622 -174.087 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.31 -74.65 0.34 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.179 1.177 . . . . 50.0 114.179 -171.345 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -160.18 -30.66 0.06 Allowed 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.91 168.02 11.42 Favored Glycine 0 N--CA 1.478 1.482 0 CA-C-O 118.357 -1.246 . . . . 25.0 111.958 -179.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -124.84 -14.82 6.62 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 124.343 0.673 . . . . 50.0 111.566 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.35 154.1 34.97 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 102.959 -2.978 . . . . 50.0 102.959 178.684 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.51 117.82 11.37 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 -178.083 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -153.27 88.95 3.68 Favored Pre-proline 0 N--CA 1.481 1.118 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.727 179.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.25 146.31 69.15 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.1 -2.133 . . . . 25.0 114.638 177.358 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -137.79 32.17 2.47 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.6 1.667 . . . . 50.0 111.409 170.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.986 0 CA-C-O 124.07 1.89 . . . . 25.0 115.135 -173.483 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.665 0 CA-C-O 122.518 1.065 . . . . 25.0 114.273 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 tt -52.75 -44.7 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.297 1.221 . . . . 50.0 114.297 -177.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.1 t -57.33 -52.55 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.09 -0.382 . . . . 50.0 111.83 176.025 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.61 -39.71 94.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.056 0.844 . . . . 25.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.78 -39.12 83.85 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 173.553 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.46 -24.25 31.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 50.0 109.86 -177.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -74.11 -39.06 63.63 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -176.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -86.33 151.24 23.74 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.236 -1.394 . . . . 25.0 107.236 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p 58.06 -172.92 0.09 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.827 -1.078 . . . . 25.0 110.777 -178.202 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.73 126.02 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 N-CA-C 107.779 -1.193 . . . . 50.0 107.779 175.064 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 116.65 27.46 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.753 -1.202 . . . . 25.0 107.753 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 p -94.29 151.59 19.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.733 -0.469 . . . . 50.0 109.733 -175.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.3 -25.25 63.24 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.101 -1.0 . . . . 50.0 108.978 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.56 -40.91 93.35 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.489 -0.757 . . . . 50.0 110.029 174.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -77.36 -37.72 51.67 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 121.736 -0.602 . . . . 50.0 111.194 177.109 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.4 -29.3 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.951 1.093 . . . . 50.0 113.951 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.72 -24.05 67.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 175.184 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.53 -23.06 67.15 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.537 1.31 . . . . 50.0 114.537 175.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -89.17 -8.81 52.92 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.195 -0.941 . . . . 50.0 109.122 -178.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.81 33.38 5.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.161 -0.927 . . . . 25.0 109.722 173.569 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.19 -2.045 0 CA-C-O 125.142 2.401 . . . . 50.0 109.742 176.045 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.843 0.83 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.56 140.17 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.701 -1.25 . . . . 25.0 108.252 174.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -80.63 98.92 7.88 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 106.911 -1.514 . . . . 50.0 106.911 175.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.86 -177.73 6.07 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-O 118.473 -0.775 . . . . 50.0 110.082 -174.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -83.77 80.32 9.18 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.011 -1.848 . . . . 50.0 106.011 176.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 117.68 18.15 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 107.035 -1.469 . . . . 50.0 107.035 -178.102 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 34.7 t -157.4 65.54 0.49 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.428 -0.806 . . . . 50.0 109.936 -166.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.93 -146.16 13.29 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -58.91 -28.85 66.6 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.0 1.4 . . . . 50.0 113.644 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -29.52 70.71 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 114.64 1.348 . . . . 50.0 114.64 176.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.75 -52.48 25.03 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.501 -0.926 . . . . 50.0 108.501 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.38 -23.36 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.15 -1.02 . . . . 50.0 111.861 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -71.75 -43.09 66.41 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 120.997 -1.064 . . . . 50.0 110.717 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.62 82.24 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 174.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.77 -45.16 86.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 119.371 -0.347 . . . . 50.0 111.239 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -59.19 -43.13 92.19 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-O 118.494 -0.765 . . . . 25.0 109.814 175.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.76 -42.27 99.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.141 -0.624 . . . . 50.0 112.293 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.44 -22.49 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 O-C-N 120.998 -1.064 . . . . 50.0 111.545 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -41.5 54.77 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 120.714 -1.241 . . . . 25.0 109.622 175.275 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.08 -75.92 0.25 Allowed Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.258 1.663 . . . . 25.0 117.258 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -149.48 1.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 117.009 2.226 . . . . 50.0 117.009 -167.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.8 -30.49 71.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -178.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.81 141.41 9.95 Favored Glycine 0 C--N 1.308 -1.02 0 N-CA-C 109.939 -1.264 . . . . 25.0 109.939 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -124.02 -7.4 7.77 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 115.644 1.72 . . . . 50.0 115.644 -179.766 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -138.2 157.98 45.22 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 105.021 -2.215 . . . . 50.0 105.021 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -126.9 116.95 21.61 Favored 'General case' 0 C--O 1.248 1.003 0 O-C-N 120.517 -1.364 . . . . 25.0 108.611 174.132 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 24.9 m -132.04 103.06 14.31 Favored Pre-proline 0 CA--C 1.501 -0.927 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -69.12 145.15 59.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 C-N-CA 117.793 -1.004 . . . . 25.0 109.594 175.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.7 32.65 3.55 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.292 -1.003 . . . . 50.0 108.292 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.188 -2.16 0 O-C-N 126.603 2.439 . . . . 25.0 115.012 -177.383 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 114.256 0.462 . . . . 25.0 114.256 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.449 HD13 ' CG ' ' A' ' 19' ' ' TYR . 8.5 tt -56.9 -36.35 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 O-C-N 120.293 -1.71 . . . . 50.0 112.09 177.128 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.33 -56.53 15.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 O-C-N 120.901 -1.125 . . . . 50.0 112.253 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.5 -25.55 68.04 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.059 -1.651 . . . . 25.0 113.236 -178.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -77.71 -43.94 29.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 175.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.43 -32.98 42.94 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.004 0.907 . . . . 50.0 113.399 -174.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.3 m -64.08 -13.92 50.88 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 117.011 2.226 . . . . 25.0 117.011 -178.089 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.13 1.67 11.38 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -178.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -138.8 160.26 40.13 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.75 0.786 . . . . 25.0 111.217 -176.054 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -77.2 125.08 36.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 118.028 -1.469 . . . . 50.0 107.373 176.116 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.0 m -97.36 119.96 36.84 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 115.154 1.539 . . . . 25.0 115.154 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -82.32 156.68 24.14 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.544 -0.539 . . . . 50.0 109.544 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.77 -34.28 76.49 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.492 0.663 . . . . 50.0 110.488 176.006 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -52.19 -45.51 65.21 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 108.258 -1.016 . . . . 50.0 108.258 176.401 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 -48.28 14.13 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.486 -0.759 . . . . 50.0 111.485 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.74 -38.88 70.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 113.983 1.105 . . . . 50.0 113.983 -178.596 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.38 -19.59 65.58 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 113.665 0.987 . . . . 50.0 113.665 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -67.14 -22.06 65.8 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 120.914 0.388 . . . . 50.0 111.873 179.867 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CG ' HD13 ' A' ' 2' ' ' ILE . 98.8 m-85 -84.45 -6.46 59.38 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.306 -0.861 . . . . 50.0 111.585 177.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -89.2 -55.0 3.85 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.763 0.792 . . . . 25.0 110.698 177.166 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 C--O 1.19 -2.037 0 N-CA-C 115.328 1.603 . . . . 50.0 115.328 174.083 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 40.4 t80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 123.049 1.404 . . . . 25.0 112.767 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.46 110.92 27.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -76.33 96.18 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.667 1.223 . . . . 50.0 109.681 173.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.68 176.58 8.55 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.114 -1.403 . . . . 50.0 111.76 -170.826 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -92.83 -29.41 15.98 Favored 'General case' 0 C--O 1.191 -2.007 0 C-N-CA 124.313 1.045 . . . . 50.0 112.631 178.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt 45.72 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.914 1.45 . . . . 50.0 114.914 176.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -124.48 112.02 16.4 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.601 0.593 . . . . 50.0 112.601 -176.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.37 128.84 0.31 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 115.216 0.846 . . . . 25.0 115.216 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m 58.18 -61.79 0.03 OUTLIER 'General case' 0 N--CA 1.523 3.191 0 N-CA-C 115.671 1.73 . . . . 50.0 115.671 -174.122 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.21 -31.63 72.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.197 1.799 . . . . 50.0 114.558 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.97 -57.64 11.93 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 122.072 0.939 . . . . 50.0 111.916 175.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.88 -23.97 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -70.56 -45.37 65.55 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 121.639 0.733 . . . . 50.0 111.896 176.499 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.72 74.88 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 121.692 -0.63 . . . . 25.0 110.986 172.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -43.4 81.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.665 -1.272 . . . . 50.0 111.22 177.171 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.84 -47.27 86.41 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.231 0.923 . . . . 25.0 109.862 178.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.0 -46.06 83.0 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-N 115.185 -0.916 . . . . 50.0 109.788 -174.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.14 -31.73 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.179 -1.575 . . . . 50.0 109.73 -178.045 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.68 -33.28 58.26 Favored 'General case' 0 N--CA 1.515 2.812 0 CA-C-O 123.067 1.413 . . . . 25.0 112.288 -177.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.86 65.25 1.99 Allowed Glycine 0 N--CA 1.44 -1.082 0 O-C-N 120.39 -1.444 . . . . 25.0 112.127 -178.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 66.46 -140.69 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 113.069 -1.565 . . . . 50.0 110.879 -171.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 62.96 17.34 9.98 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.482 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.21 166.0 30.17 Favored Glycine 0 CA--C 1.476 -2.378 0 CA-C-O 116.971 -2.016 . . . . 25.0 110.092 178.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 58.93 122.03 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 116.542 2.052 . . . . 50.0 116.542 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -68.77 130.95 44.3 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.968 -0.457 . . . . 50.0 110.533 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 126.42 16.23 Favored 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 -177.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.85 85.3 11.31 Favored Pre-proline 0 N--CA 1.428 -1.569 0 CA-C-O 122.007 0.908 . . . . 25.0 109.993 -175.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.62 146.25 78.69 Favored 'Trans proline' 0 CA--C 1.48 -2.221 0 CA-C-O 121.512 0.547 . . . . 25.0 110.834 175.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -146.08 13.57 1.28 Allowed 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 114.826 1.417 . . . . 50.0 114.826 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.503 2.211 0 CA-C-O 124.225 1.964 . . . . 25.0 109.503 -178.972 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.204 0 CA-C-O 120.878 0.155 . . . . 25.0 113.172 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -59.22 -34.19 53.01 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 N-CA-C 112.713 0.634 . . . . 50.0 112.713 -176.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.23 -55.88 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.054 0 C-N-CA 118.115 -1.434 . . . . 50.0 109.843 -174.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.01 -26.16 68.73 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 118.921 -0.561 . . . . 25.0 111.665 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.09 -51.74 23.37 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 118.578 0.626 . . . . 25.0 110.901 175.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 m -68.36 -26.03 65.37 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 113.809 1.04 . . . . 50.0 113.809 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.62 -13.72 60.35 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.386 -1.446 . . . . 25.0 114.263 176.263 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -125.18 -18.15 5.49 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -131.08 156.34 45.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.586 1.155 . . . . 25.0 112.003 173.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -77.21 133.59 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 104.885 -2.265 . . . . 50.0 104.885 -178.123 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.84 84.13 2.16 Favored 'General case' 0 C--O 1.192 -1.939 0 CA-C-O 121.15 0.5 . . . . 25.0 110.063 172.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -62.99 168.29 4.13 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 119.034 -0.508 . . . . 50.0 109.646 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' ' CD2' ' B' ' 31' ' ' PHE . 2.0 tt -53.8 -34.43 59.14 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 119.407 1.003 . . . . 50.0 112.295 177.566 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -53.6 -35.7 61.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 50.0 111.784 174.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -85.03 -44.35 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.57 1.176 . . . . 50.0 109.105 -178.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.56 -32.64 67.32 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.475 -1.693 . . . . 50.0 111.705 -175.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.67 -23.09 65.85 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.92 1.082 . . . . 50.0 113.92 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.39 -26.24 60.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.881 0.764 . . . . 50.0 111.625 174.512 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -81.0 -0.33 39.12 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 114.047 1.129 . . . . 50.0 114.047 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.0 3.05 55.74 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 123.501 1.62 . . . . 25.0 110.719 171.365 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.388 2.246 0 CA-C-O 126.03 2.824 . . . . 50.0 112.279 176.106 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 33.2 t80 . . . . . 0 N--CA 1.513 2.706 0 CA-C-O 126.122 2.868 . . . . 25.0 115.989 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.67 125.59 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 CA-C-N 112.848 -1.978 . . . . 25.0 107.348 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.12 101.83 6.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 119.897 -0.721 . . . . 50.0 110.967 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.51 166.62 23.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.131 0.972 . . . . 50.0 113.405 178.095 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.73 148.26 33.11 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-O 122.843 1.306 . . . . 50.0 108.555 171.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -132.72 133.09 43.06 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.184 -1.043 . . . . 50.0 108.184 -177.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -146.68 -49.12 0.19 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.564 0.95 . . . . 50.0 113.564 -173.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.33 -132.09 6.46 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 120.978 -1.076 . . . . 25.0 112.668 -177.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -66.76 -27.18 67.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 118.516 -0.754 . . . . 50.0 111.987 -178.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -39.21 71.97 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 118.492 0.587 . . . . 50.0 110.215 177.748 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.06 -54.19 33.99 Favored 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.991 -1.068 . . . . 50.0 109.559 -178.23 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.98 -27.37 29.77 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.842 0 C-N-CA 118.981 -1.088 . . . . 50.0 113.674 -175.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.65 -52.45 51.63 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 118.284 -0.865 . . . . 50.0 112.665 168.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.41 90.85 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.001 1.273 . . . . 25.0 109.563 -177.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.87 -40.3 92.44 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 113.564 0.95 . . . . 50.0 113.564 174.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.28 -46.97 84.32 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.43 -35.98 82.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.952 -1.099 . . . . 50.0 110.482 -175.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.59 -37.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 114.856 1.428 . . . . 50.0 114.856 -175.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.53 44.13 1.51 Allowed 'General case' 0 C--O 1.25 1.079 0 C-N-CA 122.973 0.509 . . . . 25.0 112.172 -175.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.59 45.05 0.5 Allowed Glycine 0 CA--C 1.542 1.768 0 N-CA-C 119.052 2.381 . . . . 25.0 119.052 -171.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.69 -31.63 66.98 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 113.955 1.094 . . . . 50.0 113.955 -176.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -77.27 -8.99 58.52 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.324 1.05 . . . . 25.0 110.978 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -78.9 0.34 Allowed Glycine 0 C--O 1.187 -2.795 0 CA-C-O 118.043 -1.421 . . . . 25.0 115.487 174.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 66.82 118.1 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 123.258 1.504 . . . . 50.0 113.868 -178.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.9 t80 52.74 52.07 14.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.436 -1.32 . . . . 50.0 107.436 -173.28 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -103.76 124.53 49.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.453 -1.249 . . . . 25.0 110.984 177.191 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.29 81.84 5.97 Favored Pre-proline 0 C--O 1.259 1.562 0 CA-C-N 114.9 -1.045 . . . . 25.0 109.719 -179.564 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.97 159.15 50.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 115.099 -2.801 . . . . 25.0 113.626 -174.695 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -97.96 25.94 5.61 Favored 'General case' 0 C--O 1.199 -1.593 0 CA-C-O 123.056 1.408 . . . . 50.0 111.905 -176.589 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.473 0.702 0 O-C-N 120.902 -1.124 . . . . 25.0 112.341 -177.78 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.355 0 N-CA-C 116.268 1.267 . . . . 25.0 116.268 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -52.11 -45.4 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 O-C-N 121.192 -1.181 . . . . 50.0 112.393 -177.077 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.88 -59.14 2.98 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-N 118.509 0.595 . . . . 50.0 111.862 -178.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.08 -20.95 65.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 118.146 -0.931 . . . . 25.0 112.481 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -73.83 -38.24 64.61 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.255 0.934 . . . . 25.0 111.538 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -45.07 14.66 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 113.949 1.092 . . . . 50.0 113.949 177.187 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.05 -0.14 1.49 Allowed 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.156 2.65 . . . . 25.0 118.156 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -124.34 124.37 42.24 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 176.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t 61.9 -178.71 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.872 0.869 . . . . 25.0 112.433 -166.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -91.52 119.85 39.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.65 166.64 11.4 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 176.901 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -142.92 171.37 14.14 Favored 'General case' 0 C--O 1.261 1.687 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 -171.36 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.06 -32.38 66.16 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 125.724 1.89 . . . . 50.0 111.305 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.86 -42.59 72.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.008 -1.451 . . . . 50.0 110.554 -178.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -85.7 -37.79 19.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -31.39 71.09 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 119.562 -0.256 . . . . 50.0 111.679 -174.135 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.06 -14.4 60.37 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 114.95 1.463 . . . . 50.0 114.95 174.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.63 -39.53 88.59 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 106.741 -1.577 . . . . 50.0 106.741 174.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.26 -10.65 57.48 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.568 -0.708 . . . . 50.0 110.529 -176.004 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.7 m -143.37 63.93 1.35 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 121.373 0.606 . . . . 25.0 111.685 -176.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.558 1.171 . . . . 50.0 111.143 -179.626 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.691 1.71 . . . . 25.0 115.173 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 106.13 19.11 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 CA-C-N 114.775 -1.102 . . . . 25.0 111.622 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.35 105.72 16.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.517 -0.765 . . . . 50.0 112.481 177.124 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -147.78 -175.72 4.98 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.754 -1.943 . . . . 50.0 105.754 -177.429 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -69.11 -29.33 67.38 Favored 'General case' 0 C--O 1.183 -2.408 0 O-C-N 121.863 -0.523 . . . . 50.0 111.615 177.259 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mp 53.38 80.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.394 0.616 . . . . 50.0 111.576 179.109 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.55 163.7 23.58 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 179.04 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.35 -142.09 42.06 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 108.374 -1.891 . . . . 25.0 108.374 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -59.11 -32.79 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.142 1.534 . . . . 50.0 115.142 178.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -57.89 -44.97 87.05 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.994 0.809 . . . . 50.0 110.018 -177.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -57.2 -51.74 68.11 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.454 0.471 . . . . 50.0 112.231 -177.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.88 -29.46 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.441 0.463 . . . . 50.0 112.039 -175.367 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -75.0 -39.63 61.09 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.163 -0.96 . . . . 50.0 113.036 176.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.4 -32.8 70.58 Favored 'General case' 0 C--O 1.268 2.046 0 CA-C-O 118.266 -0.873 . . . . 25.0 108.672 176.185 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.65 -42.34 74.36 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 118.235 -1.386 . . . . 50.0 112.538 175.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.79 -45.54 67.23 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-O 122.324 1.059 . . . . 25.0 110.886 176.829 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.36 -47.79 75.22 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.302 -1.317 . . . . 50.0 112.999 -177.001 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.4 p -75.73 -29.13 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 O-C-N 123.355 0.41 . . . . 50.0 111.078 -173.173 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -48.77 13.14 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 179.031 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 25.59 39.27 Favored Glycine 0 N--CA 1.478 1.436 0 O-C-N 123.536 0.523 . . . . 25.0 113.599 175.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -130.86 167.35 19.08 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 123.644 0.778 . . . . 50.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.06 61.24 2.57 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.419 1.088 . . . . 25.0 109.014 176.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.55 -24.19 76.29 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.035 -0.826 . . . . 25.0 111.035 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -126.34 132.44 51.6 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 106.172 -1.788 . . . . 50.0 106.172 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -95.23 64.86 2.76 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.189 -1.412 . . . . 50.0 107.189 178.723 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.04 145.44 44.04 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.977 -1.01 . . . . 25.0 111.394 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.7 t -147.3 143.5 18.21 Favored Pre-proline 0 C--O 1.257 1.455 0 N-CA-C 106.843 -1.54 . . . . 25.0 106.843 175.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.93 96.03 0.92 Allowed 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 112.421 -4.586 . . . . 25.0 113.258 -178.794 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -147.58 105.17 3.69 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 121.914 0.864 . . . . 50.0 111.068 173.3 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.198 -1.628 0 CA-C-O 123.427 1.584 . . . . 25.0 113.668 -177.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 CA-C-O 122.961 1.312 . . . . 25.0 115.409 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.18 -37.14 60.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.074 -1.839 . . . . 50.0 112.143 173.712 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.03 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 106.492 -1.67 . . . . 50.0 106.492 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.93 -17.95 64.03 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -174.081 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -84.73 -37.47 20.86 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.218 0.821 . . . . 25.0 113.218 178.057 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.43 -25.27 14.26 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 114.989 1.478 . . . . 50.0 114.989 -175.008 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -88.15 43.6 1.14 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.803 1.287 . . . . 25.0 110.003 -176.183 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.95 126.25 7.29 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.39 21.86 2.57 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -173.026 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 mm 33.72 100.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 C-N-CA 127.537 2.335 . . . . 50.0 114.624 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -58.82 149.81 25.65 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.42 -1.263 . . . . 25.0 112.279 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -77.0 169.17 18.83 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.283 0.845 . . . . 50.0 113.283 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.79 -29.86 70.41 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 178.726 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.79 -41.79 67.64 Favored 'General case' 0 C--O 1.193 -1.907 0 O-C-N 121.03 -1.044 . . . . 50.0 110.085 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -89.25 -33.21 17.06 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 118.579 -1.248 . . . . 50.0 108.765 177.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.77 72.06 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 113.651 0.982 . . . . 50.0 113.651 -175.703 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.6 -25.98 68.48 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.814 -1.085 . . . . 50.0 112.889 173.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.36 -27.87 68.88 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 120.616 -1.303 . . . . 50.0 109.285 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.92 -15.52 60.17 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.234 -0.916 . . . . 50.0 109.672 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -72.59 -14.46 61.62 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.886 0.741 . . . . 25.0 109.324 175.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 125.369 1.468 . . . . 50.0 114.909 -177.561 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.186 -2.288 0 CA-C-O 122.427 1.108 . . . . 25.0 113.258 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.96 127.2 65.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 178.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.9 30.04 5.82 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.477 -0.764 . . . . 50.0 111.446 -176.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 59.25 177.57 0.08 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-N 114.017 -1.447 . . . . 50.0 113.936 -178.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -92.63 86.18 5.5 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.125 -1.435 . . . . 50.0 107.125 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -117.09 142.46 46.96 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 105.904 -1.887 . . . . 50.0 105.904 -177.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 -37.5 0.32 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.512 1.133 . . . . 50.0 113.61 -178.646 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.15 -139.2 4.65 Favored Glycine 0 C--O 1.184 -2.988 0 C-N-CA 119.484 -1.341 . . . . 25.0 113.784 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.1 p -57.16 -30.56 64.57 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 123.047 1.403 . . . . 50.0 111.509 -178.364 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -58.74 -34.87 71.87 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 114.459 -1.246 . . . . 50.0 111.325 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.73 -53.48 32.93 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.784 -1.561 . . . . 50.0 106.784 -173.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.87 -21.18 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 CA-C-O 121.412 0.625 . . . . 50.0 112.137 -179.728 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.58 -44.6 50.07 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.278 -1.514 . . . . 50.0 108.772 177.448 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.13 79.75 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -178.073 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.69 -43.94 87.7 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.801 0.688 . . . . 50.0 110.143 179.3 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -55.4 -45.75 76.66 Favored 'General case' 0 C--O 1.246 0.881 0 C-N-CA 119.715 -0.794 . . . . 25.0 112.312 172.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.12 -40.27 94.27 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 114.145 1.165 . . . . 50.0 114.145 -177.235 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.2 -24.81 11.59 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 C-N-CA 119.76 -0.776 . . . . 50.0 112.821 -177.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.4 m -78.04 -38.02 45.57 Favored 'General case' 0 C--O 1.256 1.413 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.351 172.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 -88.62 0.43 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.318 -0.944 . . . . 25.0 113.628 179.07 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -160.26 127.9 4.56 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 108.859 -0.793 . . . . 50.0 108.859 -175.066 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -148.3 -113.19 0.07 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -177.262 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.4 53.23 0.42 Allowed Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 107.61 -2.196 . . . . 25.0 107.61 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -62.19 -53.8 50.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.989 0.737 . . . . 50.0 112.989 -172.737 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.61 132.6 20.26 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 124.191 0.932 . . . . 50.0 109.31 -177.428 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -84.63 103.09 13.44 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.524 -1.287 . . . . 25.0 107.524 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -131.23 82.85 61.69 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.219 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.54 96.32 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 120.459 0.773 . . . . 25.0 113.944 -177.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -141.2 123.65 15.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.015 0.912 . . . . 50.0 108.988 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.208 -1.105 0 CA-C-O 124.302 2.001 . . . . 25.0 113.468 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.143 0 CA-C-O 123.615 1.675 . . . . 25.0 114.439 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.78 -38.84 67.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 113.669 -1.266 . . . . 50.0 112.548 -172.217 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.77 -53.22 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 119.37 -0.932 . . . . 50.0 111.216 -174.733 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.97 -31.49 71.85 Favored 'General case' 0 C--O 1.174 -2.913 0 CA-C-O 117.893 -1.051 . . . . 25.0 110.036 178.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.39 -48.47 64.62 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 119.885 1.221 . . . . 25.0 113.279 173.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -26.9 63.28 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.331 1.062 . . . . 50.0 112.844 -177.286 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.4 t -67.31 -30.39 70.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 120.9 -1.125 . . . . 25.0 113.281 177.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -96.5 -21.19 17.86 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.725 1.75 . . . . 25.0 115.725 175.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -146.13 131.81 18.91 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.128 -0.983 . . . . 25.0 109.608 174.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.84 120.49 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 119.554 1.07 . . . . 50.0 110.465 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 m -65.7 144.65 56.78 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -69.82 136.69 51.08 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.372 -1.344 . . . . 50.0 107.372 175.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -30.18 71.33 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.59 -0.694 . . . . 75.0 109.331 179.029 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.37 -37.63 84.06 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 119.03 -0.509 . . . . 50.0 111.699 177.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -84.47 -37.28 21.56 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.289 -0.964 . . . . 50.0 110.96 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.04 -35.42 71.3 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.11 -28.39 66.48 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 113.848 1.055 . . . . 50.0 113.848 176.088 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -76.02 -11.21 59.91 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.591 -0.731 . . . . 50.0 112.122 -177.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -83.25 -19.44 36.39 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.203 -1.777 . . . . 50.0 106.203 174.711 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -82.78 123.65 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 122.104 -0.372 . . . . 25.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 C--O 1.196 -1.744 0 CA-C-O 122.826 1.298 . . . . 50.0 112.012 -172.726 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 119.909 3.3 . . . . 25.0 119.909 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.69 119.73 55.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.704 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -119.25 10.73 12.09 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.69 -1.141 . . . . 50.0 108.374 -177.401 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 61.44 -179.29 0.12 Allowed 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.999 -1.455 . . . . 50.0 108.122 -167.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -92.0 -56.43 3.08 Favored 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 119.87 -0.732 . . . . 50.0 112.309 -178.182 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.01 149.46 0.05 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.84 1.256 . . . . 50.0 110.695 -173.416 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.37 43.02 0.45 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.444 -1.687 . . . . 50.0 106.444 -176.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.58 -161.58 21.42 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 107.162 -2.375 . . . . 25.0 107.162 -176.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -56.25 -19.31 13.46 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.631 0.974 . . . . 50.0 113.631 170.316 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -54.92 -27.78 45.78 Favored 'General case' 0 CA--C 1.589 2.478 0 C-N-CA 123.621 0.769 . . . . 50.0 111.076 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.3 tp -68.87 -50.35 50.55 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -67.59 -30.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.004 -1.078 . . . . 50.0 108.19 177.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.25 -40.75 97.22 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.175 -1.578 . . . . 50.0 109.119 178.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.48 -41.09 85.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 123.353 1.549 . . . . 25.0 111.023 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -37.2 81.39 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.088 -1.415 . . . . 50.0 112.697 178.243 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.68 -46.98 73.88 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.122 0.487 . . . . 25.0 112.238 173.711 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.0 -33.37 75.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.156 -0.449 . . . . 50.0 111.937 -175.128 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 12.5 p -82.05 -31.46 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 C-N-CA 119.889 -0.725 . . . . 50.0 110.986 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.26 -24.23 54.48 Favored 'General case' 0 C--O 1.192 -1.953 0 C-N-CA 119.756 -0.777 . . . . 25.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.49 -70.9 3.06 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-O 119.642 -0.532 . . . . 25.0 113.945 -179.279 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.19 4.9 0.18 Allowed 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 117.216 2.302 . . . . 50.0 117.216 -175.2 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -87.34 7.92 26.67 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.199 -0.938 . . . . 25.0 112.147 -175.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.16 160.79 32.92 Favored Glycine 0 C--O 1.198 -2.11 0 CA-C-O 118.411 -1.216 . . . . 25.0 112.301 177.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 67.76 140.05 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 127.519 2.328 . . . . 50.0 112.075 177.953 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -144.82 132.18 20.72 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 118.587 -1.245 . . . . 50.0 108.679 -176.3 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -139.81 138.28 35.69 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 124.035 0.835 . . . . 25.0 112.719 177.544 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 38.6 p -123.14 134.09 24.91 Favored Pre-proline 0 N--CA 1.483 1.222 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.913 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.7 173.95 13.35 Favored 'Trans proline' 0 CA--C 1.544 1.004 1 C-N-CA 111.79 -5.007 . . . . 25.0 111.605 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -117.19 26.65 9.62 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.532 -0.73 . . . . 50.0 109.568 176.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.197 -1.71 0 CA-C-O 124.101 1.905 . . . . 25.0 114.909 176.076 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.72 0 CA-C-O 120.219 -0.211 . . . . 25.0 113.461 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -46.29 -54.87 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.951 0 N-CA-C 115.954 1.835 . . . . 50.0 115.954 -177.69 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.92 -32.24 33.16 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 O-C-N 119.661 -1.899 . . . . 50.0 109.841 -175.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.64 -48.51 81.37 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 106.053 -1.832 . . . . 25.0 106.053 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -66.52 -46.47 76.08 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 121.438 -0.789 . . . . 25.0 111.621 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -72.66 -18.43 61.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 118.268 -1.373 . . . . 50.0 113.588 -174.507 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.29 -25.57 36.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 173.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -102.21 -22.26 14.21 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.615 1.339 . . . . 25.0 114.615 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -136.54 162.76 32.2 Favored 'General case' 0 C--O 1.196 -1.718 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 173.379 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -86.43 128.32 39.58 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 120.698 -1.251 . . . . 50.0 110.929 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.96 108.96 21.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 172.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -82.09 168.47 17.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 112.943 0.72 . . . . 50.0 112.943 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -48.66 -45.11 38.26 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.267 1.21 . . . . 50.0 114.267 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.06 -38.24 65.03 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 177.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.17 -41.33 25.51 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.178 -0.951 . . . . 50.0 112.053 176.342 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 tp -59.68 -43.78 93.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 122.48 1.133 . . . . 50.0 111.849 -175.095 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -52.83 -33.75 50.79 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 114.707 -1.133 . . . . 50.0 112.389 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -69.89 -17.88 63.38 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.97 -1.081 . . . . 50.0 112.373 -174.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -78.78 -12.27 60.02 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.672 -1.233 . . . . 50.0 107.672 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.1 m -111.5 40.16 2.17 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.312 -1.024 0 CA-C-O 127.04 3.305 . . . . 50.0 111.511 175.013 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 C--O 1.186 -2.272 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.08 129.24 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 124.524 2.107 . . . . 25.0 110.798 -178.571 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.42 118.72 21.57 Favored 'General case' 0 C--O 1.258 1.505 0 N-CA-C 105.655 -1.98 . . . . 50.0 105.655 178.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -155.95 171.28 20.35 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 109.015 -0.735 . . . . 50.0 109.015 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.65 132.66 40.73 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.862 -1.532 . . . . 50.0 106.862 172.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.04 121.03 40.17 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -176.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 75.6 m -138.76 159.53 41.88 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 112.676 -2.056 . . . . 50.0 110.289 -172.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.2 -138.76 21.32 Favored Glycine 0 C--N 1.312 -0.798 0 CA-C-O 123.924 1.847 . . . . 25.0 113.345 -175.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -65.8 -32.1 73.43 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.095 -1.238 . . . . 50.0 111.35 -175.012 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -60.68 -31.62 70.87 Favored 'General case' 0 C--O 1.193 -1.907 0 CA-C-N 119.251 0.932 . . . . 50.0 111.027 -176.023 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 tt -66.54 -48.16 70.57 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 107.86 -1.163 . . . . 50.0 107.86 179.188 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.91 -37.69 79.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.267 -0.896 . . . . 50.0 110.179 -175.116 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.41 -37.2 84.69 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.884 -0.598 . . . . 50.0 111.467 175.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.93 74.09 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 120.498 -1.376 . . . . 25.0 111.397 173.499 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.1 -35.86 81.64 Favored 'General case' 0 CA--C 1.559 1.29 0 O-C-N 124.582 1.176 . . . . 50.0 112.143 174.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.23 -42.99 87.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.917 0.865 . . . . 25.0 112.001 173.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.54 -39.87 92.64 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.601 -1.312 . . . . 50.0 111.925 177.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.34 -28.04 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 CA-C-O 116.226 -1.845 . . . . 50.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -33.56 58.56 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 124.686 1.242 . . . . 25.0 110.918 -178.626 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.41 -103.29 2.8 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 104.448 -3.461 . . . . 25.0 104.448 -168.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.41 175.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.065 1.876 . . . . 50.0 116.065 -179.167 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.19 -27.06 13.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.651 -1.159 . . . . 25.0 109.597 178.031 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.25 1.45 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -177.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.49 -25.64 61.49 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.565 1.682 . . . . 50.0 107.443 -177.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.72 159.25 44.65 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 105.174 -2.158 . . . . 50.0 105.174 -178.902 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -131.14 144.48 51.41 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 124.027 0.829 . . . . 25.0 109.025 -178.202 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.57 87.09 1.07 Allowed Pre-proline 0 C--N 1.344 0.348 0 O-C-N 123.511 0.507 . . . . 25.0 112.251 179.131 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.37 157.66 45.19 Favored 'Trans proline' 0 C--O 1.209 -0.937 1 C-N-CA 112.224 -4.718 . . . . 25.0 116.503 177.054 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.73 120.81 15.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 112.82 -1.991 . . . . 50.0 108.489 173.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.296 -1.757 0 CA-C-O 123.73 1.729 . . . . 25.0 111.274 177.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.971 0 CA-C-O 126.582 3.323 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.72 -31.43 52.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 O-C-N 118.823 -2.575 . . . . 50.0 111.85 -172.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.28 -52.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.111 -0.993 . . . . 50.0 109.951 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -65.15 -25.96 67.97 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 119.446 -0.902 . . . . 25.0 108.873 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.87 -66.19 0.58 Allowed 'General case' 0 C--O 1.204 -1.296 0 O-C-N 123.899 0.75 . . . . 25.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.19 -22.66 65.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -177.341 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.45 -38.05 74.43 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 119.21 0.914 . . . . 25.0 109.668 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -97.18 -52.06 3.97 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 123.994 0.809 . . . . 25.0 111.997 -177.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.4 m -95.13 113.39 25.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.011 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.39 122.32 7.92 Favored 'Isoleucine or valine' 0 C--O 1.261 1.681 0 CA-C-O 121.51 0.672 . . . . 50.0 110.114 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.22 159.7 15.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 174.795 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -132.03 164.17 26.81 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.437 -1.69 . . . . 50.0 106.437 -172.128 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -52.66 -42.57 64.83 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 117.573 -1.203 . . . . 50.0 111.474 -173.113 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.73 -46.52 74.25 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 118.609 0.64 . . . . 50.0 110.775 -178.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -74.88 -40.23 61.06 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 121.092 -1.005 . . . . 50.0 111.596 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.29 -42.06 90.4 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.987 -0.746 . . . . 50.0 108.987 -175.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.7 -32.43 70.5 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -64.58 -16.02 61.99 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 121.076 -1.015 . . . . 50.0 112.606 -176.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.93 -19.64 51.29 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 50.0 112.121 177.343 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.17 28.47 5.26 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.366 -1.288 . . . . 25.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 C--N 1.394 2.501 0 CA-C-O 127.075 3.321 . . . . 50.0 112.884 174.3 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.714 0.769 . . . . 25.0 112.536 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.8 116.83 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.547 178.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -81.0 100.7 9.1 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.363 -1.347 . . . . 50.0 107.363 -178.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -136.41 165.09 26.62 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.15 -1.594 . . . . 50.0 109.422 -178.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.57 67.84 1.56 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.483 1.29 . . . . 50.0 114.483 173.87 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.36 125.83 27.9 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.789 -1.189 . . . . 50.0 107.789 177.192 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -146.8 161.63 40.26 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 103.814 -2.662 . . . . 50.0 103.814 -171.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.96 -150.93 50.97 Favored Glycine 0 C--O 1.255 1.466 0 O-C-N 120.536 -1.352 . . . . 25.0 115.925 -178.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.4 p -59.86 -34.14 72.73 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.521 1.128 . . . . 50.0 112.674 174.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -58.15 -44.63 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 50.0 110.351 -178.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.22 -50.43 73.6 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.978 0.733 . . . . 50.0 112.978 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.74 -23.01 17.54 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.396 -0.922 . . . . 50.0 110.772 -176.205 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -75.17 -36.92 61.45 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 177.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.8 -44.02 86.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.432 1.11 . . . . 25.0 109.739 177.2 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.44 -37.14 86.48 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.876 -1.511 . . . . 50.0 110.586 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.57 -46.31 90.43 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.49 -1.381 . . . . 25.0 114.232 173.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.23 -38.81 92.63 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.447 1.092 . . . . 50.0 112.066 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.58 -37.59 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 N-CA-C 114.98 1.474 . . . . 50.0 114.98 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -165.42 71.65 0.17 Allowed 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.106 -0.997 . . . . 25.0 109.897 175.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.07 -88.66 0.06 OUTLIER Glycine 0 CA--C 1.554 2.512 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 179.663 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 51.52 17.29 0.54 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 118.462 2.764 . . . . 50.0 118.462 175.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -125.96 -7.71 6.63 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 116.723 2.12 . . . . 25.0 116.723 -177.262 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.45 39.17 4.81 Favored Glycine 0 C--O 1.217 -0.922 0 C-N-CA 120.392 -0.908 . . . . 25.0 111.691 177.102 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -71.71 -21.8 61.72 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.998 0.899 . . . . 50.0 112.544 178.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 36.43 89.05 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 120.195 3.406 . . . . 50.0 120.195 170.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -109.75 112.69 24.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.387 1.089 . . . . 25.0 109.452 177.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -132.25 92.34 28.95 Favored Pre-proline 0 CA--C 1.568 1.665 0 CA-C-N 115.108 -0.951 . . . . 25.0 108.737 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.45 170.45 20.26 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.109 1.206 . . . . 25.0 113.025 -175.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -123.48 122.87 39.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 105.476 -2.046 . . . . 50.0 105.476 172.22 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.526 3.355 0 CA-C-O 124.908 2.29 . . . . 25.0 111.555 179.206 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 N-CA-C 115.331 0.892 . . . . 25.0 115.331 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.5 tt -67.41 -27.13 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.414 -1.639 . . . . 50.0 112.751 -178.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.37 -44.54 80.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.47 -1.308 . . . . 50.0 107.47 -177.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.25 -29.54 61.73 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 123.881 0.738 . . . . 25.0 112.135 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -65.1 -43.75 91.06 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.59 -55.91 5.21 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 117.81 -1.556 . . . . 50.0 109.07 -178.529 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -54.23 -46.11 72.47 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.233 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -71.61 145.63 48.87 Favored 'General case' 0 C--O 1.181 -2.525 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -173.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 50.32 -134.4 1.52 Allowed 'General case' 0 C--O 1.265 1.871 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.218 -173.772 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.99 127.77 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.895 0 C-N-CA 122.956 0.502 . . . . 50.0 111.78 -173.098 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.19 142.16 31.39 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 123.755 0.822 . . . . 25.0 110.507 174.389 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -120.68 158.44 27.44 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.68 -26.34 67.97 Favored 'General case' 0 N--CA 1.424 -1.737 0 O-C-N 124.185 0.928 . . . . 50.0 112.712 177.023 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.51 -47.56 66.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 -178.464 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.57 -40.34 91.31 Favored 'General case' 0 C--O 1.184 -2.357 0 CA-C-N 115.008 -0.996 . . . . 50.0 111.24 174.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -47.27 83.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 121.517 -0.74 . . . . 50.0 112.762 -175.8 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.17 -25.87 67.15 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 124.477 1.11 . . . . 50.0 109.238 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.15 -10.48 59.42 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.356 -0.84 . . . . 50.0 111.147 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.1 -17.96 61.95 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-O 121.674 0.749 . . . . 50.0 109.233 170.696 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.95 58.59 0.85 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.217 -0.902 . . . . 25.0 110.946 173.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.499 2.013 0 O-C-N 125.93 2.019 . . . . 50.0 114.762 176.78 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 123.667 1.699 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.3 137.83 55.87 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 179.334 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -85.48 123.05 30.48 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.421 -0.809 . . . . 50.0 110.027 175.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.02 176.81 8.51 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 124.889 1.276 . . . . 50.0 111.225 -171.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.2 54.93 1.13 Allowed 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 118.332 0.515 . . . . 50.0 111.623 175.076 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.14 120.65 19.06 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.261 -1.755 . . . . 50.0 106.261 -175.572 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 t -156.09 172.95 17.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.115 -2.18 . . . . 50.0 105.115 175.479 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.71 -135.15 47.04 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-O 122.568 1.093 . . . . 25.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 86.1 p -62.1 -34.06 75.62 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 113.132 -1.534 . . . . 50.0 112.312 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -72.2 -28.23 63.06 Favored 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 119.985 -0.686 . . . . 50.0 111.657 -175.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.5 -51.67 58.33 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.835 -1.078 . . . . 50.0 110.705 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -34.71 71.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 124.01 0.819 . . . . 50.0 111.4 177.849 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.9 -48.13 83.22 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.88 0.764 . . . . 50.0 111.345 177.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.21 91.08 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.793 178.079 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.21 -42.4 93.54 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.457 0.54 . . . . 50.0 112.457 178.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -62.06 -41.01 97.7 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 121.85 -0.531 . . . . 25.0 110.262 175.614 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.64 -35.66 79.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 117.851 -1.071 . . . . 50.0 109.402 -177.657 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.89 -29.56 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -115.41 -31.71 5.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.182 1.549 . . . . 25.0 115.182 -171.391 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.83 -82.51 1.2 Allowed Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.465 1.346 . . . . 25.0 116.465 175.162 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 57.45 -159.88 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.83 1.652 . . . . 50.0 112.09 -176.517 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -79.33 2.88 19.89 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.839 1.304 . . . . 25.0 110.092 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.35 160.32 35.83 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 114.351 -1.295 . . . . 25.0 110.92 -172.666 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -87.1 -22.05 25.64 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.166 -1.196 . . . . 50.0 112.079 -177.877 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 t80 51.07 47.86 24.11 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 121.879 0.847 . . . . 50.0 111.671 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -147.33 131.03 16.91 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.147 -177.28 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 101.15 5.64 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 122.443 1.116 . . . . 25.0 111.002 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.56 146.18 54.56 Favored 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 117.486 -1.209 . . . . 25.0 109.817 -176.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -149.43 123.06 9.18 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.562 0.745 . . . . 50.0 109.831 178.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.201 -1.479 0 CA-C-O 123.564 1.65 . . . . 25.0 110.486 -176.701 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.314 0 CA-C-O 124.983 2.435 . . . . 25.0 117.341 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -56.92 -40.82 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 111.881 -2.16 . . . . 50.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.73 -52.0 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 109.083 -0.71 . . . . 50.0 109.083 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -48.92 62.51 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.447 176.466 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -62.6 -55.08 30.42 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.726 0.694 . . . . 25.0 111.948 -179.145 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -76.32 -16.84 59.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.614 1.338 . . . . 50.0 114.614 -176.316 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -86.43 -41.57 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 119.564 1.074 . . . . 25.0 111.565 178.418 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -79.2 -17.76 54.26 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -175.518 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -144.31 155.03 43.64 Favored 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.498 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.72 119.14 28.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 105.922 -1.881 . . . . 50.0 105.922 -176.289 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.19 157.88 16.57 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.885 -1.507 . . . . 25.0 108.765 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -130.65 176.15 8.42 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.656 -1.609 . . . . 50.0 106.656 -175.339 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.12 -31.91 65.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.521 -1.362 . . . . 50.0 112.587 -176.275 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.03 -48.25 73.67 Favored 'General case' 0 CA--C 1.487 -1.466 0 C-N-CA 122.288 0.235 . . . . 50.0 111.426 177.628 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -76.57 -42.82 41.3 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 119.509 -0.877 . . . . 50.0 110.816 175.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.08 -35.23 78.04 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 115.471 1.656 . . . . 50.0 115.471 -169.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.49 -20.59 64.74 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 118.26 -0.876 . . . . 50.0 111.783 174.846 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.57 -22.87 66.73 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 120.645 1.566 . . . . 50.0 110.564 177.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -79.98 -9.86 59.72 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-O 122.723 1.249 . . . . 50.0 112.768 179.591 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -116.47 43.54 2.19 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-N 113.817 -1.538 . . . . 25.0 109.561 175.478 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 C--O 1.198 -1.633 0 CA-C-O 125.27 2.462 . . . . 50.0 112.044 175.254 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 t80 . . . . . 0 C--O 1.191 -2.017 0 CA-C-O 123.455 1.598 . . . . 25.0 113.48 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -127.19 131.46 70.64 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.483 -1.386 . . . . 25.0 114.546 173.809 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -84.78 107.52 16.99 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-N 114.771 -1.104 . . . . 50.0 112.584 -179.077 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -155.12 172.04 18.79 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 104.982 -2.229 . . . . 50.0 104.982 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -76.4 143.92 40.34 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.087 0.858 . . . . 50.0 111.786 177.235 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -125.42 92.11 3.55 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 108.783 -0.821 . . . . 50.0 108.783 -172.846 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -97.48 -54.95 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.544 1.313 . . . . 50.0 114.544 -174.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.47 -90.94 0.53 Allowed Glycine 0 C--N 1.345 1.059 0 CA-C-N 113.01 -1.905 . . . . 25.0 111.126 -175.154 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.3 91.44 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 113.536 0.939 . . . . 50.0 113.536 -178.668 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -59.29 -39.22 82.29 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 122.61 0.364 . . . . 50.0 110.253 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.64 -54.85 37.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.558 -1.201 . . . . 50.0 108.067 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.41 HG12 ' CE1' ' B' ' 54' ' ' PHE . 63.8 t -58.36 -44.13 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.452 0 CA-C-O 120.724 0.297 . . . . 50.0 111.263 -179.239 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.11 -52.26 66.11 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 124.975 1.422 . . . . 50.0 111.299 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.78 79.16 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 -173.717 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.24 -40.71 86.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 -177.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -66.59 -37.03 84.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 123.704 0.628 . . . . 25.0 110.199 176.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -69.97 -30.03 67.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.323 0.51 . . . . 50.0 110.139 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.77 -50.55 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-O 121.255 0.55 . . . . 50.0 112.0 179.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 12.71 3.14 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 114.44 1.274 . . . . 25.0 114.44 -168.491 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.71 -58.51 10.13 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 117.037 1.575 . . . . 25.0 117.037 -167.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.24 -134.49 1.21 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-O 117.849 -1.072 . . . . 50.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.38 -0.23 55.01 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.556 1.169 . . . . 25.0 111.206 175.627 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.57 -27.28 67.77 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 119.234 2.454 . . . . 25.0 119.234 -174.238 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -71.08 -22.33 62.12 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 113.714 1.005 . . . . 50.0 113.714 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 18.2 t80 50.13 55.54 9.29 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.678 -1.146 . . . . 50.0 111.274 -178.527 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -143.91 140.62 29.82 Favored 'General case' 0 C--O 1.197 -1.704 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 179.357 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 71.7 p -119.22 88.5 37.58 Favored Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.51 149.54 56.09 Favored 'Trans proline' 0 C--O 1.199 -1.473 0 C-N-CA 117.741 -1.039 . . . . 25.0 112.364 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.481 -1.686 0 CA-C-O 124.055 1.883 . . . . 25.0 109.769 177.337 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.887 0 CA-C-O 126.053 3.03 . . . . 25.0 114.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 19' ' ' TYR . 13.4 tt -59.42 -33.6 51.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 112.44 -1.88 . . . . 25.0 113.761 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.13 -52.0 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.68 -35.96 82.72 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -61.29 -55.7 28.85 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -44.04 90.61 Favored 'General case' 0 CA--C 1.563 1.469 0 O-C-N 122.044 -0.41 . . . . 25.0 111.507 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.76 -14.26 20.2 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.189 -0.91 . . . . 25.0 113.407 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.3 p -116.61 -20.68 9.48 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -136.27 121.18 18.71 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.428 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mm -56.25 123.78 8.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.0 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.3 112.12 17.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 124.389 1.056 . . . . 25.0 113.075 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 146.79 50.7 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.22 -38.37 68.35 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -57.18 -41.37 79.16 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.372 -0.83 . . . . 25.0 110.108 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -76.28 -42.05 46.82 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 121.479 0.657 . . . . 25.0 111.182 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.79 -38.61 91.72 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.85 -31.98 71.4 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.58 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.26 -19.71 65.57 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.162 -1.015 . . . . 25.0 112.828 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 2' ' ' ILE . 70.5 m-85 -79.18 -20.31 48.74 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 121.354 -0.841 . . . . 25.0 112.416 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -157.12 118.18 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 123.102 1.429 . . . . 25.0 110.71 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--O 1.198 -1.619 0 CA-C-O 123.718 1.723 . . . . 25.0 112.47 178.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 CA--C 1.461 -2.473 0 CA-C-O 122.254 1.026 . . . . 25.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -89.82 128.99 41.46 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 CA-C-O 124.033 1.873 . . . . 25.0 106.129 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.94 102.77 8.46 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.201 -1.818 . . . . 25.0 106.41 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -132.73 169.6 16.46 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -74.4 -27.15 60.5 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt 45.22 86.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 175.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -92.85 154.89 17.97 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.479 -0.763 . . . . 25.0 112.313 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.97 -131.19 48.49 Favored Glycine 0 CA--C 1.548 2.098 0 N-CA-C 115.772 1.069 . . . . 25.0 115.772 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.8 m -66.25 -31.26 71.96 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 123.946 0.898 . . . . 25.0 111.735 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -58.29 -35.48 71.87 Favored 'General case' 0 C--O 1.208 -1.081 0 O-C-N 121.424 -0.797 . . . . 25.0 110.918 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.01 -48.3 74.41 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.612 0.968 . . . . 25.0 113.612 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.22 -28.55 23.31 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.747 0 O-C-N 120.432 -1.418 . . . . 25.0 110.191 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.09 -46.09 68.63 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 117.241 -1.361 . . . . 25.0 108.059 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.01 86.08 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.664 1.12 . . . . 25.0 109.576 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.57 -36.16 80.4 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-O 121.284 0.564 . . . . 25.0 110.351 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.15 -40.64 90.74 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.061 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.73 -43.49 96.33 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.019 0.824 . . . . 25.0 109.592 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.21 -31.16 11.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -79.79 -38.39 33.15 Favored 'General case' 0 C--O 1.195 -1.789 0 O-C-N 121.067 -1.021 . . . . 25.0 108.436 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.48 90.93 0.36 Allowed Glycine 0 N--CA 1.423 -2.181 0 CA-C-O 121.231 0.351 . . . . 25.0 112.495 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.48 167.64 0.17 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 174.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 56.93 47.09 18.4 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 114.516 -1.22 . . . . 25.0 112.162 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 127.48 1.64 Allowed Glycine 0 CA--C 1.497 -1.06 0 N-CA-C 107.492 -2.243 . . . . 25.0 107.492 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.353 0.719 0 O-C-N 125.767 1.51 . . . . 25.0 111.336 -175.183 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 125.024 2.458 . . . . 25.0 113.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -52.65 -44.04 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 112.646 -1.777 . . . . 25.0 111.216 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.33 -52.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.876 -0.515 . . . . 25.0 111.226 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.88 -26.49 64.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.45 -0.5 . . . . 25.0 112.114 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -73.63 -39.46 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.595 -0.442 . . . . 25.0 111.199 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -32.27 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -176.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.1 m -72.19 -1.86 16.63 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 p -107.9 -5.94 16.92 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.312 0.486 . . . . 25.0 112.312 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -150.64 -170.01 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 -174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.69 138.12 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.2 m -103.73 151.52 22.92 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.98 151.16 49.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.788 0.435 . . . . 25.0 110.839 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -58.09 -36.33 72.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 25.0 112.141 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.48 -39.36 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.438 0.637 . . . . 25.0 111.378 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -87.7 -36.78 17.2 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.98 -0.45 . . . . 25.0 110.349 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.4 -38.66 71.82 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.038 0.447 . . . . 25.0 111.174 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -60.88 -24.97 66.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.35 -28.23 68.5 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.99 2.75 48.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.99 0.424 . . . . 25.0 111.327 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.93 10.49 32.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 122.349 1.071 . . . . 25.0 109.549 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 p30 . . . . . 0 C--O 1.216 -0.68 0 CA-C-O 123.725 1.726 . . . . 25.0 111.737 177.274 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.69 146.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.24 123.4 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -145.89 154.52 42.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.198 -168.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -74.6 120.69 20.5 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.21 120.54 33.47 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 48.6 t -155.26 157.31 37.07 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.94 -145.23 49.16 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 111.159 -0.777 . . . . 25.0 111.159 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p -58.55 -29.82 66.64 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 122.628 -0.336 . . . . 25.0 111.866 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.76 -32.49 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.09 -47.67 60.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.75 -39.13 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.201 0.524 . . . . 25.0 110.166 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.42 -40.41 85.53 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.917 -0.489 . . . . 25.0 111.638 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.99 91.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.58 -41.09 96.5 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.55 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -60.34 -45.21 94.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.873 0.368 . . . . 25.0 111.272 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.33 -35.08 75.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.875 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.0 -30.44 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.336 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.25 -44.36 25.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.649 -0.657 . . . . 25.0 110.66 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.48 5.13 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 116.14 1.216 . . . . 25.0 116.14 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.49 -0.17 28.41 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 50.95 33.03 8.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 116.871 2.174 . . . . 25.0 116.871 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.59 27.8 15.46 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 115.419 0.928 . . . . 25.0 115.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 116.902 2.186 . . . . 25.0 116.902 -171.108 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.71 0 CA-C-O 124.807 2.337 . . . . 25.0 112.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -45.85 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 112.452 -1.874 . . . . 25.0 111.736 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.71 -48.74 74.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 122.057 -0.402 . . . . 25.0 111.283 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.91 -35.17 79.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.994 -0.682 . . . . 25.0 110.053 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -61.16 -51.21 70.02 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 110.62 -0.141 . . . . 25.0 110.62 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -72.85 -26.46 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.03 -48.06 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.793 -0.567 . . . . 25.0 112.294 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.5 p -84.15 -38.5 20.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 25.0 112.206 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -113.21 168.77 9.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -88.71 116.62 30.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -93.74 122.84 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -71.6 156.39 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.47 -0.787 . . . . 25.0 109.764 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.42 -28.69 65.48 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 111.519 0.192 . . . . 25.0 111.519 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -64.21 -40.97 97.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.36 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -72.18 -39.91 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.885 0.374 . . . . 25.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.18 -26.43 67.71 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -70.82 -16.32 62.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.356 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -87.05 -5.83 58.92 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.607 0.241 . . . . 25.0 111.188 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.18 97.1 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 125.522 1.529 . . . . 25.0 112.79 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 122.63 1.205 . . . . 25.0 113.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.5 t -117.9 119.28 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.522 -0.736 . . . . 25.0 109.587 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -75.04 106.16 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.55 172.17 14.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 -174.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -80.07 139.68 36.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.651 -1.24 . . . . 25.0 107.651 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.7 121.65 25.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.981 0.42 . . . . 25.0 110.481 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -126.99 -159.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.44 135.03 1.67 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m 65.04 -49.55 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -63.92 -40.13 95.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.676 -0.64 . . . . 25.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -65.3 -43.37 91.29 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.493 -0.321 . . . . 25.0 110.5 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.33 -43.84 98.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -66.49 -43.51 85.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.694 0.283 . . . . 25.0 110.946 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.03 97.2 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -35.15 79.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.903 0.335 . . . . 25.0 111.903 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.8 -45.34 93.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.77 -37.26 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.36 -42.26 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.095 0.474 . . . . 25.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -40.94 24.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.72 -74.06 0.46 Allowed Glycine 0 C--O 1.221 -0.66 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.38 -34.69 68.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -168.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.26 24.49 1.6 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.84 110.67 3.7 Favored Glycine 0 C--O 1.216 -1.011 0 CA-C-O 118.927 -0.929 . . . . 25.0 111.843 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 178.085 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.984 0 CA-C-O 123.696 1.72 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.408 HD12 ' CD2' ' A' ' 19' ' ' TYR . 12.3 tt -57.42 -32.98 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 119.302 -2.293 . . . . 25.0 112.1 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.41 -46.98 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.195 -0.602 . . . . 25.0 112.029 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.53 -33.63 76.38 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -66.22 -52.53 46.97 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.83 -0.544 . . . . 25.0 110.294 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.1 m -68.41 -21.98 64.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -87.49 -43.43 12.05 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 120.873 -1.142 . . . . 25.0 113.913 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -80.45 -27.73 37.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 25.0 112.364 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -124.92 164.91 19.07 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -83.56 124.22 39.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.42 113.28 26.24 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.954 0.883 . . . . 25.0 109.822 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -76.4 157.6 32.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.598 -0.728 . . . . 25.0 111.436 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.64 -36.91 72.47 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -55.57 -46.98 77.12 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 122.359 1.076 . . . . 25.0 112.57 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -76.21 -36.65 58.5 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.827 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' CE2' ' B' ' 31' ' ' PHE . 1.0 OUTLIER -61.85 -35.93 79.73 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 122.037 -0.414 . . . . 25.0 110.03 -177.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -61.56 -26.48 67.98 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.322 -0.861 . . . . 25.0 111.597 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -18.96 64.04 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.134 -0.627 . . . . 25.0 112.307 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 2' ' ' ILE . 96.6 m-85 -81.26 -17.03 50.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.994 -0.441 . . . . 25.0 109.981 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -86.76 -12.74 47.26 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 126.08 2.848 . . . . 25.0 113.713 179.369 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD22 ' A' ' 16' ' ' LEU . 26.8 t80 . . . . . 0 C--O 1.194 -1.85 0 CA-C-O 123.389 1.566 . . . . 25.0 112.83 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.78 145.12 21.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 105.905 -1.887 . . . . 25.0 105.905 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -76.43 99.32 4.84 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 122.763 1.268 . . . . 25.0 111.961 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -133.91 175.7 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.388 -1.278 . . . . 25.0 108.346 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -77.71 111.52 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 mt -97.98 124.77 42.6 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 106.392 -1.707 . . . . 25.0 106.392 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.7 m -136.28 160.46 38.63 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 123.554 0.534 . . . . 25.0 111.151 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.13 -143.5 37.32 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.778 -0.646 . . . . 25.0 113.205 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -32.65 70.76 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.36 -33.12 73.12 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.046 -0.409 . . . . 25.0 110.579 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.92 -59.72 3.27 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.46 -31.7 53.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.924 -0.71 . . . . 25.0 110.563 -174.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -71.79 -35.78 70.11 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -41.1 88.94 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 120.905 0.383 . . . . 25.0 110.164 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.99 -42.5 97.19 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.146 -0.934 . . . . 25.0 108.698 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.985 0.422 . . . . 25.0 111.823 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.05 -41.55 98.26 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.946 -0.471 . . . . 25.0 111.852 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.75 -30.57 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -37.0 78.63 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.648 -0.657 . . . . 25.0 111.874 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.1 33.17 86.53 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.569 -1.013 . . . . 25.0 110.569 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -125.18 146.1 49.66 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.128 -0.631 . . . . 25.0 110.667 -174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -75.22 40.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.54 175.69 28.16 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.471 -0.786 . . . . 25.0 114.598 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.55 0.96 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -174.842 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.731 0 CA-C-O 123.582 1.657 . . . . 25.0 114.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -47.88 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.589 1.556 . . . . 25.0 111.862 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.25 -46.02 91.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 110.066 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.25 -42.71 99.09 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 123.253 0.346 . . . . 25.0 110.66 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.38 -50.04 69.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.53 0.519 . . . . 25.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -25.58 61.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -20.07 62.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.746 -0.382 . . . . 25.0 110.98 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 p -117.67 -22.9 7.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -107.73 165.02 11.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.91 123.58 36.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.55 -0.719 . . . . 25.0 109.573 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -79.03 154.09 29.73 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 p -149.78 151.4 33.51 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 107.405 -1.332 . . . . 25.0 107.405 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.23 -38.41 86.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.823 0.821 . . . . 25.0 110.722 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.42 -46.18 83.8 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.861 -0.608 . . . . 25.0 111.26 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.61 -38.86 67.67 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.517 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -28.92 69.65 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.77 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.795 -1.19 . . . . 25.0 110.587 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -68.94 -14.85 63.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -97.94 12.59 33.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.3 t -59.4 -30.69 68.62 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.682 0.754 . . . . 25.0 110.947 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 124.747 2.213 . . . . 25.0 111.839 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 123.195 1.474 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.78 114.19 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -79.65 90.53 5.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -148.28 179.6 7.65 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -76.14 78.86 2.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.7 134.92 49.2 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 t -152.96 167.96 27.42 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 105.243 -2.132 . . . . 25.0 105.243 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.28 -148.64 50.35 Favored Glycine 0 C--N 1.31 -0.871 0 C-N-CA 120.477 -0.868 . . . . 25.0 113.497 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -61.13 -32.21 71.91 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.671 0.748 . . . . 25.0 112.882 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -65.38 -32.83 74.67 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.1 -50.88 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.22 -30.02 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 120.544 -0.462 . . . . 25.0 110.536 -176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -48.24 75.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.37 96.86 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.15 0.976 . . . . 25.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.47 -38.73 90.68 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 121.772 -0.58 . . . . 25.0 110.713 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' B' ' 51' ' ' GLU . 31.4 t80 -57.55 -52.77 64.07 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 175.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.32 -34.15 76.06 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.473 1.108 . . . . 25.0 113.051 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.15 -46.05 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 120.699 -0.4 . . . . 25.0 110.148 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -7.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.998 2.221 . . . . 25.0 116.998 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.71 38.2 3.21 Favored Glycine 0 C--N 1.308 -1.025 0 O-C-N 121.241 -0.912 . . . . 25.0 115.162 -161.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HA ' ' CE2' ' B' ' 46' ' ' TYR . 22.3 mt-10 -61.76 -38.62 88.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 118.026 0.913 . . . . 25.0 111.549 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -88.28 -2.23 58.48 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.671 -0.643 . . . . 25.0 110.684 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.09 -29.02 10.79 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 116.043 -0.526 . . . . 25.0 113.361 -175.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.834 0 CA-C-N 118.179 0.99 . . . . 25.0 111.43 -177.667 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.065 0 N-CA-C 109.124 -1.59 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.48 -37.67 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 119.669 -2.077 . . . . 25.0 115.929 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.68 -46.41 92.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 C-N-CA 119.391 -0.924 . . . . 25.0 110.176 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.73 -43.11 98.29 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.4 -34.51 41.78 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 124.726 1.266 . . . . 25.0 111.491 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.96 -46.53 8.81 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 119.099 0.863 . . . . 25.0 112.983 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -63.56 -11.13 22.11 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p -90.22 6.46 42.71 Favored 'General case' 0 N--CA 1.437 -1.118 0 O-C-N 121.299 -0.876 . . . . 25.0 111.576 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -135.68 -178.98 5.37 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 125.207 1.403 . . . . 25.0 109.67 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.86 -33.49 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 121.103 -0.998 . . . . 25.0 111.829 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m 66.33 42.51 2.99 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 123.896 0.878 . . . . 25.0 110.492 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -62.2 159.95 13.88 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.41 -27.06 68.27 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.21 -46.67 65.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.379 -1.282 . . . . 25.0 109.03 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -80.48 -40.87 25.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.27 1.028 . . . . 25.0 110.429 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.22 -32.51 74.12 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -66.05 -25.43 67.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.584 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.71 -22.54 66.96 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.026 -1.046 . . . . 25.0 111.874 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -84.66 0.94 48.5 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.606 0.717 . . . . 25.0 110.592 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -98.88 -6.36 29.12 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 123.978 1.847 . . . . 25.0 113.284 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 m -124.52 149.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -102.03 109.39 21.09 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 107.007 -1.479 . . . . 25.0 107.007 -174.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.31 168.0 21.09 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 100.941 -3.725 . . . . 25.0 100.941 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -68.2 141.07 56.08 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.176 1.465 . . . . 25.0 111.337 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.4 123.99 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.914 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -147.4 170.86 16.47 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.94 -143.81 46.88 Favored Glycine 0 C--O 1.209 -1.434 0 C-N-CA 120.682 -0.77 . . . . 25.0 113.463 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.1 t -61.06 -32.24 71.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.601 -0.94 . . . . 25.0 112.74 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -63.23 -31.27 72.38 Favored 'General case' 0 C--O 1.181 -2.518 0 O-C-N 121.115 -0.99 . . . . 25.0 110.332 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -67.16 -44.94 78.47 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.906 -1.121 . . . . 25.0 111.093 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 m -82.17 -21.57 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.591 0 O-C-N 124.21 0.944 . . . . 25.0 109.813 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -66.58 -43.86 83.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.72 1.248 . . . . 25.0 108.967 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.29 64.46 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 119.721 -1.862 . . . . 25.0 109.293 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -41.03 93.15 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.954 0.883 . . . . 25.0 110.237 173.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.89 -41.13 91.92 Favored 'General case' 0 N--CA 1.414 -2.239 0 O-C-N 121.056 -1.027 . . . . 25.0 109.968 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.59 -40.46 92.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.53 0.566 . . . . 25.0 112.53 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.0 -34.11 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 9.75 1.29 Allowed 'General case' 0 C--O 1.279 2.615 0 N-CA-C 115.078 1.511 . . . . 25.0 115.078 -175.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.34 62.43 4.57 Favored Glycine 0 C--O 1.208 -1.525 0 C-N-CA 119.188 -1.482 . . . . 25.0 114.226 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.29 -27.83 68.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.83 1.252 . . . . 25.0 113.792 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -118.17 -16.94 9.69 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.342 0.591 . . . . 25.0 110.612 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.67 26.25 Favored Glycine 0 N--CA 1.436 -1.347 0 N-CA-C 109.092 -1.603 . . . . 25.0 109.092 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.48 1.041 0 O-C-N 122.146 -0.62 . . . . 25.0 111.723 -171.243 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 CA-C-O 124.899 2.388 . . . . 25.0 112.404 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -55.71 -32.74 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 112.628 -1.786 . . . . 25.0 112.814 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.88 -52.73 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.899 -0.501 . . . . 25.0 110.495 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -72.6 -24.52 61.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.948 0.404 . . . . 25.0 110.92 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -66.84 -39.85 87.77 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 122.229 -0.294 . . . . 25.0 110.857 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -28.95 15.23 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 115.173 1.546 . . . . 25.0 115.173 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -82.17 37.51 0.5 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.454 0.702 . . . . 25.0 112.105 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -125.91 -72.69 0.65 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -142.74 41.09 1.56 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt 68.33 107.6 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.991 1.317 . . . . 25.0 112.256 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.23 144.08 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.804 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.8 p -71.17 149.29 46.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.01 -35.75 75.74 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.833 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -56.86 -43.74 81.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.257 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -78.54 -37.96 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.917 0.389 . . . . 25.0 110.16 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.36 -39.47 83.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.822 0.344 . . . . 25.0 111.474 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.32 -20.9 66.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.83 -18.76 63.46 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.531 -0.731 . . . . 25.0 110.523 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -86.49 1.73 50.46 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.79 -11.66 61.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.899 0.856 . . . . 25.0 109.899 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 123.065 1.412 . . . . 25.0 114.802 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 123.536 1.636 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 m -98.3 55.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 122.981 1.372 . . . . 25.0 109.706 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.04 35.18 0.13 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 117.576 2.435 . . . . 25.0 117.576 -174.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 60.32 170.96 0.09 Allowed 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.74 91.96 8.79 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 84.8 mt -87.52 131.98 34.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.391 -0.822 . . . . 25.0 110.822 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 67.0 m -140.04 -71.59 0.38 Allowed 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.02 -143.63 3.73 Favored Glycine 0 N--CA 1.465 0.63 0 CA-C-N 116.388 -0.369 . . . . 25.0 113.312 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -56.09 -18.85 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.991 1.848 . . . . 25.0 115.991 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -30.95 71.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.577 -0.702 . . . . 25.0 110.292 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.05 -45.69 76.66 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -37.58 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 25.0 109.427 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.74 -43.83 92.09 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 120.364 0.126 . . . . 25.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.67 79.57 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.584 -0.697 . . . . 25.0 109.181 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.38 -32.07 71.98 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -72.7 -39.98 66.58 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.98 -31.24 72.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.708 -0.62 . . . . 25.0 110.805 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.51 -48.56 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 113.836 1.05 . . . . 25.0 113.836 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.7 m -112.07 -5.97 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -171.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.52 57.18 3.77 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 116.264 1.265 . . . . 25.0 116.264 -170.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.48 -61.84 2.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.036 0.418 . . . . 25.0 111.514 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -167.66 40.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.21 25.88 0.89 Allowed Glycine 0 C--O 1.212 -1.248 0 N-CA-C 117.279 1.671 . . . . 25.0 117.279 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 118.448 1.124 . . . . 25.0 112.973 -178.221 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.35 0 N-CA-C 115.433 0.933 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.55 -33.66 45.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.182 -1.187 . . . . 25.0 113.356 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.63 -54.24 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.496 -0.764 . . . . 25.0 110.656 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.75 -24.23 60.93 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.526 0.516 . . . . 25.0 112.01 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.81 -40.54 88.1 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.187 -0.321 . . . . 25.0 111.654 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.73 -35.94 10.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -85.96 53.88 2.94 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 122.236 1.017 . . . . 25.0 112.13 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.49 -54.96 0.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.549 -1.205 . . . . 25.0 108.554 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -125.7 18.02 8.04 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt 62.64 84.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.144 0.977 . . . . 25.0 111.924 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -64.75 136.34 56.82 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 121.602 0.715 . . . . 25.0 109.702 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -86.2 163.77 17.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 114.906 -1.043 . . . . 25.0 111.342 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.41 -28.1 58.37 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.53 -44.48 96.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.701 -1.222 . . . . 25.0 107.701 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.24 -40.92 62.08 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.774 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.76 -34.34 77.02 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.694 -0.629 . . . . 25.0 112.546 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -65.42 -21.72 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.762 -0.586 . . . . 25.0 111.518 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -65.91 -21.13 66.42 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.464 -0.772 . . . . 25.0 110.08 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.3 -0.04 57.16 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.52 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -100.45 100.61 11.4 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.077 -1.014 . . . . 25.0 109.013 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 124.381 2.039 . . . . 25.0 111.297 176.145 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 123.315 1.531 . . . . 25.0 114.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 107.05 18.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 O-C-N 120.159 -1.588 . . . . 25.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.98 100.64 2.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.057 -0.974 . . . . 25.0 112.993 173.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.03 175.74 7.51 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.47 102.98 9.07 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 121.598 0.713 . . . . 25.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.01 79.74 6.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 112.804 -1.998 . . . . 25.0 107.545 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 77.1 m -127.51 163.36 24.3 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.417 -2.438 . . . . 25.0 104.417 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.93 -142.25 47.49 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 119.267 -1.445 . . . . 25.0 110.175 172.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -65.89 -28.38 68.9 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.193 -1.181 . . . . 25.0 110.126 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -59.69 -32.17 70.25 Favored 'General case' 0 C--O 1.251 1.153 0 O-C-N 120.96 -1.088 . . . . 25.0 111.424 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.35 -52.5 58.02 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.131 0.967 . . . . 25.0 110.567 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.81 -21.52 14.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.891 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.46 -50.47 52.22 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-O 121.43 0.633 . . . . 25.0 109.642 174.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.17 96.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.015 -0.993 . . . . 25.0 110.68 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.73 -40.91 98.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.27 -43.6 94.31 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.597 0.713 . . . . 25.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.08 -36.23 83.35 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.774 -0.579 . . . . 25.0 112.301 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.7 p -87.19 -31.94 6.16 Favored 'Isoleucine or valine' 0 C--O 1.26 1.636 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.4 20.54 0.74 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 116.242 1.942 . . . . 25.0 116.242 -174.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.02 41.4 2.61 Favored Glycine 0 C--O 1.234 0.111 0 O-C-N 120.032 -1.668 . . . . 25.0 111.974 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.13 -38.02 87.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.586 0.754 . . . . 25.0 111.403 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -79.17 -28.44 42.72 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.717 0.77 . . . . 25.0 109.51 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.82 159.26 31.57 Favored Glycine 0 N--CA 1.434 -1.471 0 CA-C-N 113.807 -1.542 . . . . 25.0 111.116 -173.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 114.835 1.421 . . . . 25.0 114.835 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 N-CA-C 117.098 1.599 . . . . 25.0 117.098 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.9 tt -51.46 -41.93 27.59 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 125.475 1.338 . . . . 25.0 114.086 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.6 -56.13 12.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 O-C-N 121.674 -0.641 . . . . 25.0 110.784 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.5 -24.32 67.41 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 118.292 -0.861 . . . . 25.0 109.958 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -80.39 -42.44 22.82 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -74.63 -25.34 59.16 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.359 -1.337 . . . . 25.0 112.614 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -68.63 -18.1 64.24 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.628 -0.67 . . . . 25.0 111.27 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -117.06 10.8 14.04 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 114.925 -1.034 . . . . 25.0 112.718 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -142.49 -173.64 3.92 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 118.104 0.411 . . . . 25.0 111.396 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -89.59 -40.71 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 O-C-N 120.741 -1.225 . . . . 25.0 113.578 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.2 m 54.2 86.81 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.263 1.425 . . . . 25.0 112.299 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -65.51 167.11 9.31 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.746 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' B' ' 31' ' ' PHE . 49.3 tp -63.26 -32.26 73.62 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.381 -0.824 . . . . 25.0 111.799 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.31 1.053 . . . . 25.0 112.237 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -71.65 -44.68 63.87 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 114.947 -1.024 . . . . 25.0 110.495 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.01 -39.49 94.91 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.733 -1.187 . . . . 25.0 109.477 -173.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.19 -24.93 60.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.527 0.517 . . . . 25.0 111.059 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -71.74 -14.98 62.17 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.11 -0.994 . . . . 25.0 112.022 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 2' ' ' ILE . 54.9 m-85 -91.17 -7.77 50.53 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.315 0.646 . . . . 25.0 111.973 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 m -115.89 11.77 15.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.906 1.379 . . . . 25.0 111.354 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.6 t30 . . . . . 0 CA--C 1.585 2.3 0 CA-C-O 127.993 3.759 . . . . 25.0 110.821 -178.689 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 13' ' ' LEU . 55.9 t80 . . . . . 0 N--CA 1.519 3.019 0 CA-C-O 126.091 2.853 . . . . 25.0 113.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 31.1 m -117.82 135.79 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.638 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -102.34 125.11 48.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.682 -1.145 . . . . 25.0 109.452 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -161.43 175.44 12.18 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -68.41 136.11 52.79 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.74 123.3 40.2 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 t -139.87 -58.98 0.56 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 -128.96 4.24 Favored Glycine 0 C--O 1.2 -1.972 0 CA-C-N 118.816 0.734 . . . . 25.0 111.906 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -58.45 -35.12 71.64 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.583 -1.539 . . . . 25.0 113.383 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -55.66 -35.82 66.39 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.49 -55.69 10.91 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 124.874 1.359 . . . . 25.0 112.865 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.33 -32.47 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 O-C-N 122.017 -0.427 . . . . 25.0 110.162 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.65 -48.31 75.25 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 122.161 -0.337 . . . . 25.0 110.193 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.41 80.87 Favored 'General case' 0 C--O 1.195 -1.785 0 C-N-CA 118.176 -1.409 . . . . 25.0 107.875 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.48 -41.77 90.57 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -67.61 -43.07 81.31 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 124.421 1.075 . . . . 25.0 108.729 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.04 -45.26 82.06 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 119.035 -0.507 . . . . 25.0 110.94 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.79 -28.45 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 119.014 0.825 . . . . 25.0 111.969 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -39.69 68.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.85 72.89 Favored Glycine 0 C--O 1.218 -0.876 0 O-C-N 125.254 1.596 . . . . 25.0 112.381 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.07 150.02 20.71 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.493 1.139 . . . . 25.0 112.162 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -87.14 48.81 1.7 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.938 -1.028 . . . . 25.0 111.726 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.04 -130.92 2.64 Favored Glycine 0 C--O 1.254 1.357 0 N-CA-C 108.652 -1.779 . . . . 25.0 108.652 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 115.931 1.826 . . . . 25.0 115.931 177.409 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.951 0 N-CA-C 117.505 1.762 . . . . 25.0 117.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.536 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.8 tt -47.02 -45.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 O-C-N 118.979 -2.483 . . . . 25.0 115.913 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.12 -50.24 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 121.224 -0.922 . . . . 25.0 110.832 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -32.58 71.05 Favored 'General case' 0 C--O 1.19 -2.028 0 C-N-CA 119.416 -0.914 . . . . 25.0 109.485 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -66.32 -44.76 82.49 Favored 'General case' 0 C--O 1.204 -1.313 0 O-C-N 120.091 -1.63 . . . . 25.0 110.845 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.14 -32.69 74.29 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.45 -1.406 . . . . 25.0 110.372 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -72.92 -32.74 65.51 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.956 -1.09 . . . . 25.0 111.901 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 p -92.04 -27.41 17.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 p -120.9 158.44 27.66 Favored 'General case' 0 C--N 1.373 1.61 0 O-C-N 120.74 -1.225 . . . . 25.0 108.687 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -74.68 127.09 36.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 160.85 19.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 122.684 1.23 . . . . 25.0 108.96 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -134.79 148.85 50.3 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.1 tp -58.5 -38.26 77.28 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 123.814 0.696 . . . . 25.0 111.104 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -50.93 -43.68 60.16 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 123.832 0.707 . . . . 25.0 112.385 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.8 -36.44 36.99 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.375 -0.93 . . . . 25.0 110.834 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.79 -39.58 77.87 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.38 -27.2 67.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.651 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.3 -24.66 63.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.425 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 2' ' ' ILE . 92.8 m-85 -83.07 -7.87 59.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.162 -0.926 . . . . 25.0 110.244 -176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.81 11.09 14.4 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.184 1.553 . . . . 25.0 108.326 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 124.908 2.29 . . . . 25.0 112.214 -175.813 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.199 -1.588 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.92 146.7 27.81 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-N 118.944 0.793 . . . . 25.0 109.716 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -91.18 136.86 32.8 Favored 'General case' 0 C--O 1.258 1.528 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.537 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -164.73 161.5 20.66 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 107.351 -1.351 . . . . 25.0 107.351 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.83 107.83 18.86 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.828 0.851 . . . . 25.0 108.83 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.29 115.84 28.08 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 m -121.84 156.91 32.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.586 -1.188 . . . . 25.0 113.604 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.58 -140.68 47.85 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 114.233 -1.349 . . . . 25.0 113.857 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -63.86 -26.18 68.49 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 124.579 0.811 . . . . 25.0 112.816 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.55 -29.44 70.7 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.945 -0.472 . . . . 25.0 111.155 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.57 -56.21 10.37 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 123.542 0.527 . . . . 25.0 110.193 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.96 -29.48 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 119.905 -0.718 . . . . 25.0 111.531 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.25 -45.06 74.22 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 120.272 -0.571 . . . . 25.0 111.713 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.8 95.53 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-O 121.838 0.828 . . . . 25.0 109.493 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -39.66 85.1 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 122.351 1.072 . . . . 25.0 109.71 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.85 -39.27 90.6 Favored 'General case' 0 C--O 1.197 -1.696 0 O-C-N 120.426 -1.421 . . . . 25.0 113.007 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.05 -39.92 96.16 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 118.255 -0.879 . . . . 25.0 111.208 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.96 -30.53 23.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 119.492 1.042 . . . . 25.0 111.517 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -65.38 -47.34 76.71 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 -17.5 3.71 Favored Glycine 0 C--N 1.306 -1.137 0 O-C-N 122.308 -0.245 . . . . 25.0 113.508 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -140.22 177.5 7.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 60.32 52.19 4.99 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.58 132.55 44.38 Favored Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.203 -0.998 . . . . 25.0 112.795 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.254 1.324 0 CA-C-N 115.392 -0.404 . . . . 25.0 111.476 -177.584 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.391 0 N-CA-C 119.402 2.521 . . . . 25.0 119.402 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -52.94 -40.99 38.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 121.032 -1.275 . . . . 25.0 114.243 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.9 -56.36 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.715 -0.794 . . . . 25.0 111.631 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -67.07 -26.84 66.94 Favored 'General case' 0 C--O 1.173 -2.925 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.805 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.84 -41.44 68.16 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 121.391 -0.818 . . . . 25.0 112.534 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 t -77.46 -46.0 23.91 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.7 m -77.0 6.9 5.51 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 117.616 2.45 . . . . 25.0 117.616 -172.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -103.09 -12.97 17.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.36 -0.536 . . . . 25.0 111.076 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -154.06 -165.27 2.06 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mm -67.61 128.46 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 103.349 -2.834 . . . . 25.0 103.349 168.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -92.52 105.41 17.59 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.53 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.4 p -74.64 153.94 38.72 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 119.206 -0.997 . . . . 25.0 110.543 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.29 -27.09 63.17 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.5 -41.39 98.79 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 120.006 -0.678 . . . . 25.0 110.892 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -70.89 -41.71 70.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.01 -37.13 81.44 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.275 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -69.04 -19.02 64.09 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 117.252 -1.356 . . . . 25.0 109.882 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -70.39 -23.33 62.74 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 120.532 1.514 . . . . 25.0 112.968 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -77.09 -10.92 59.7 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.755 -0.378 . . . . 25.0 110.334 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -105.17 22.36 15.49 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 . . . . . 0 N--CA 1.491 1.578 0 C-N-CA 128.381 2.672 . . . . 25.0 111.693 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 CA--C 1.502 -0.904 0 CA-C-O 122.282 1.039 . . . . 25.0 113.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.408 HG12 ' H ' ' B' ' 32' ' ' VAL . 2.6 p -73.59 137.36 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 CA-C-N 114.076 -1.42 . . . . 25.0 111.901 -172.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.56 128.7 36.67 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -140.34 178.06 7.56 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 119.016 -0.516 . . . . 25.0 111.17 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.91 129.11 34.36 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 104.561 -2.385 . . . . 25.0 104.561 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.87 129.79 40.83 Favored 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 104.657 -2.349 . . . . 25.0 104.657 -175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 t -157.05 171.03 21.19 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 103.907 -2.627 . . . . 25.0 103.907 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.11 -137.72 43.98 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 124.53 1.144 . . . . 25.0 113.019 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.4 p -61.41 -34.83 76.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.36 -1.671 . . . . 25.0 113.268 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.0 -35.36 78.31 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 118.752 0.705 . . . . 25.0 109.634 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.8 -51.34 69.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.864 0.84 . . . . 25.0 108.757 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.96 -38.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.051 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -58.23 -48.61 79.84 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.496 0.718 . . . . 25.0 111.722 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.42 82.89 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.328 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.97 -35.81 73.81 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 122.616 1.198 . . . . 25.0 109.321 178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -69.31 -42.43 75.42 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.97 -32.88 72.78 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.517 -1.23 . . . . 25.0 111.733 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.81 -32.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.757 0 CA-C-N 119.32 0.964 . . . . 25.0 113.214 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -148.43 7.0 0.76 Allowed 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 115.653 1.723 . . . . 25.0 115.653 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.06 30.58 1.34 Allowed Glycine 0 C--O 1.251 1.188 0 CA-C-O 118.312 -1.271 . . . . 25.0 115.715 -174.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.28 -33.23 70.82 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 118.6 1.2 . . . . 25.0 114.004 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -76.48 -18.48 58.74 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 116.64 0.38 Allowed Glycine 0 CA--C 1.541 1.685 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 CA--C 1.497 -1.067 0 CA-C-O 122.243 1.021 . . . . 25.0 108.552 177.211 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 117.634 1.814 . . . . 25.0 117.634 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -51.0 -41.87 23.01 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 CA-C-N 114.089 -1.055 . . . . 25.0 112.923 -176.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.1 -53.03 48.73 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.34 0 O-C-N 121.258 -0.901 . . . . 25.0 112.561 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.74 -20.39 59.84 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 120.982 -1.074 . . . . 25.0 112.316 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.91 -37.66 34.18 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 122.09 0.948 . . . . 25.0 110.219 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.56 -50.44 6.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.277 -1.514 . . . . 25.0 111.795 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.33 50.21 1.41 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 115.207 -0.906 . . . . 25.0 112.819 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -146.44 -5.94 0.56 Allowed 'General case' 0 C--O 1.26 1.608 0 CA-C-O 122.4 1.095 . . . . 25.0 111.46 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -151.96 179.42 8.48 Favored 'General case' 0 C--O 1.189 -2.128 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -72.22 128.28 34.99 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -95.72 104.85 16.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -76.25 151.21 36.87 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.844 0.83 . . . . 25.0 110.695 -175.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' B' ' 31' ' ' PHE . 56.4 tp -56.62 -34.81 67.61 Favored 'General case' 0 C--O 1.186 -2.268 0 CA-C-N 115.155 -0.93 . . . . 25.0 111.864 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.36 -41.99 81.19 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 121.89 -0.506 . . . . 25.0 111.817 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.65 -38.99 28.13 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -36.73 80.13 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 124.199 0.999 . . . . 25.0 110.842 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.33 -21.85 66.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.629 0.581 . . . . 25.0 109.622 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -68.79 -18.95 64.27 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.08 -1.013 . . . . 25.0 111.467 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.33 3.53 52.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 122.552 1.168 . . . . 25.0 112.987 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -85.29 -2.22 57.83 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 123.187 1.47 . . . . 25.0 109.749 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--O 1.193 -1.869 0 C-N-CA 126.212 1.805 . . . . 25.0 113.26 175.278 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 59.2 t80 . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.75 136.35 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -77.4 106.57 9.24 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.853 -1.165 . . . . 25.0 107.853 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -144.06 -177.24 5.34 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.782 -1.199 . . . . 25.0 110.819 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.3 78.79 4.76 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.23 114.25 11.2 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 122.262 1.03 . . . . 25.0 108.385 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -138.94 161.91 36.18 Favored 'General case' 0 N--CA 1.421 -1.92 0 CA-C-N 115.028 -0.987 . . . . 25.0 109.398 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.93 -142.99 44.29 Favored Glycine 0 N--CA 1.416 -2.676 0 C-N-CA 120.569 -0.824 . . . . 25.0 114.68 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -68.54 -21.75 64.54 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.638 -0.425 . . . . 25.0 111.414 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -63.24 -26.62 68.87 Favored 'General case' 0 C--O 1.191 -2.015 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.18 -49.44 56.7 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.471 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.39 -30.13 33.84 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.879 0 CA-C-N 118.382 0.537 . . . . 25.0 110.6 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.67 -50.04 66.37 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.88 94.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.76 -1.213 . . . . 25.0 107.931 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.87 -44.51 86.67 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -66.85 -39.27 87.54 Favored 'General case' 0 C--O 1.204 -1.339 0 O-C-N 121.17 -0.956 . . . . 25.0 112.295 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.62 -43.0 99.91 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-O 122.033 0.921 . . . . 25.0 113.181 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.53 -28.76 14.57 Favored 'Isoleucine or valine' 0 C--O 1.25 1.088 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.988 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 74.8 m -83.59 -46.14 12.71 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 118.614 -1.234 . . . . 25.0 110.523 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.65 27.31 73.92 Favored Glycine 0 C--N 1.312 -0.763 0 C-N-CA 119.667 -1.254 . . . . 25.0 112.187 -174.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.05 4.56 3.37 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -174.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 59.66 39.89 20.63 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 119.076 0.853 . . . . 25.0 112.243 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.96 125.63 5.43 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-N 115.102 -0.953 . . . . 25.0 113.233 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.467 0.4 0 O-C-N 118.86 -2.553 . . . . 25.0 110.044 -179.023 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.01 1 CA-C-O 128.927 4.626 . . . . 25.0 111.361 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 19' ' ' TYR . 11.4 tt -51.22 -44.62 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 1 CA-C-N 108.155 -4.023 . . . . 25.0 112.805 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.94 -48.16 87.37 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 -175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -66.54 -30.5 70.82 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.172 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.68 -48.53 54.29 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 119.869 1.213 . . . . 25.0 112.237 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 m -81.42 -25.73 35.96 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 -176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 t -71.29 -10.3 59.53 Favored 'General case' 0 C--O 1.268 2.052 0 CA-C-O 119.096 -0.478 . . . . 25.0 111.034 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -116.09 152.01 34.46 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 104.374 -2.454 . . . . 25.0 104.374 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m 51.5 -153.57 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.521 -0.737 . . . . 25.0 110.745 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -130.57 107.15 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.97 122.7 23.0 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 m -75.55 160.05 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -25.61 68.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 25.0 112.577 -176.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -63.15 -41.65 99.32 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 123.323 0.649 . . . . 25.0 110.933 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -75.91 -35.49 59.77 Favored 'General case' 0 C--O 1.195 -1.781 0 CA-C-N 115.255 -0.884 . . . . 25.0 108.855 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.28 -40.64 86.74 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.07 -28.81 55.17 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.808 -1.183 . . . . 25.0 113.61 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.37 -19.68 62.25 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.562 -1.336 . . . . 25.0 109.777 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 2' ' ' ILE . 85.6 m-85 -72.06 -23.61 61.39 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 121.346 -0.846 . . . . 25.0 112.148 173.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.25 -35.7 61.37 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 123.601 1.667 . . . . 25.0 110.069 173.72 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.505 2.289 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.18 132.27 33.37 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 O-C-N 118.978 -2.326 . . . . 25.0 113.601 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -82.24 131.43 35.23 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.27 -0.972 . . . . 25.0 110.236 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -160.69 166.87 28.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -59.08 141.48 53.95 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.892 -1.13 . . . . 25.0 111.365 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.83 98.39 5.79 Favored 'General case' 0 C--O 1.186 -2.245 0 CA-C-O 123.623 1.677 . . . . 25.0 113.408 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -126.47 -146.18 0.33 Allowed 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 114.615 -1.175 . . . . 25.0 108.892 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -29.08 123.32 0.08 OUTLIER Glycine 0 N--CA 1.486 1.99 0 N-CA-C 117.431 1.732 . . . . 25.0 117.431 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m 63.8 -51.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.463 1.653 . . . . 25.0 115.463 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -60.13 -39.73 87.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.63 -54.35 44.07 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.33 -37.86 80.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.94 -46.35 78.48 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.975 -0.453 . . . . 25.0 111.676 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.02 -42.71 89.28 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 120.696 -1.252 . . . . 25.0 108.348 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.69 -45.71 77.77 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 123.321 0.648 . . . . 25.0 110.066 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.82 -44.87 94.99 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.379 -0.826 . . . . 25.0 110.693 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.49 -33.75 76.25 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.74 -26.51 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 O-C-N 120.047 -1.658 . . . . 25.0 114.168 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 67.1 m -79.11 -56.03 4.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 120.278 -0.569 . . . . 25.0 112.337 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.3 24.79 67.76 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.01 -1.091 . . . . 25.0 115.389 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.62 -63.87 1.24 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-N 117.72 0.76 . . . . 25.0 112.151 -172.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -144.78 -32.25 0.41 Allowed 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.23 136.53 8.67 Favored Glycine 0 C--O 1.205 -1.662 0 N-CA-C 109.197 -1.561 . . . . 25.0 109.197 -170.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 C--O 1.218 -0.583 0 O-C-N 121.919 -0.754 . . . . 25.0 109.702 -176.699 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 117.101 1.6 . . . . 25.0 117.101 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.71 -35.8 57.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 124.157 0.983 . . . . 25.0 113.444 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -67.69 -52.67 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 119.527 -0.869 . . . . 25.0 111.43 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -67.81 -27.16 66.49 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.201 -0.937 . . . . 25.0 110.806 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -72.27 -47.83 47.11 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 123.635 0.584 . . . . 25.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.7 m -81.89 -18.53 43.4 Favored 'General case' 0 C--O 1.26 1.629 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -88.41 40.19 0.95 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.899 0.857 . . . . 25.0 111.77 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -133.29 -91.13 0.37 Allowed 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.101 -1.409 . . . . 25.0 107.737 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t -81.36 148.77 29.19 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 165.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.05 121.72 16.71 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 CA-C-N 119.128 0.876 . . . . 25.0 109.283 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.54 116.64 6.36 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -64.11 149.7 47.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -22.53 66.51 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 120.224 -1.548 . . . . 25.0 111.919 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -67.66 -35.42 78.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.927 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -79.47 -37.51 36.68 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.299 0.571 . . . . 25.0 111.751 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.21 -34.83 72.63 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.318 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.13 -33.55 67.49 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.818 0.847 . . . . 25.0 110.898 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.73 -22.79 63.35 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.746 -0.782 . . . . 25.0 111.48 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -73.7 -12.36 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.764 -1.21 . . . . 25.0 110.68 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.98 52.13 1.86 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.484 1.232 0 CA-C-N 112.899 -1.955 . . . . 25.0 113.206 -171.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 123.672 1.701 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.09 128.1 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.871 -1.143 . . . . 25.0 111.134 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -84.2 121.63 27.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.3 171.23 14.4 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.17 0.588 . . . . 25.0 110.436 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.86 94.53 3.91 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.16 141.68 38.05 Favored 'General case' 0 CA--C 1.49 -1.355 0 C-N-CA 119.119 -1.032 . . . . 25.0 109.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.27 -144.37 0.27 Allowed 'General case' 0 C--O 1.243 0.727 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.207 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.88 141.26 5.19 Favored Glycine 0 C--O 1.213 -1.194 0 CA-C-N 115.54 -0.755 . . . . 25.0 113.823 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t 63.94 -61.34 0.17 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.458 2.022 . . . . 25.0 116.458 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -32.49 73.59 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 119.75 -1.843 . . . . 25.0 112.07 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -67.16 -38.21 85.06 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 121.019 1.736 . . . . 25.0 108.286 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.69 -35.29 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.61 -42.95 77.41 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.8 95.76 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.268 0.94 . . . . 25.0 109.533 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 tp -58.09 -43.91 87.33 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 121.792 -0.568 . . . . 25.0 110.895 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.492 -1.25 0 O-C-N 120.867 -1.145 . . . . 25.0 111.069 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.22 -31.62 70.32 Favored 'General case' 0 C--O 1.17 -3.106 0 C-N-CA 120.313 -0.555 . . . . 25.0 111.684 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 p -85.66 -31.35 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 119.572 -1.955 . . . . 25.0 112.975 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 86.4 m -70.73 -38.55 73.58 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.267 0.556 . . . . 25.0 112.325 172.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.29 82.86 Favored Glycine 0 C--O 1.216 -1.026 0 CA-C-O 122.6 1.111 . . . . 25.0 112.457 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.49 163.48 25.25 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 121.682 -0.893 . . . . 25.0 109.291 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.92 -15.65 44.7 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 114.981 1.474 . . . . 25.0 114.981 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.22 173.21 12.95 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.022 -1.281 . . . . 25.0 111.929 -178.561 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.309 0 N-CA-C 120.453 2.941 . . . . 25.0 120.453 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tt -51.28 -32.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 119.584 -2.127 . . . . 25.0 116.183 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.79 -57.94 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.864 -1.148 . . . . 25.0 111.317 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.32 -26.11 68.34 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.685 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.44 -50.22 19.27 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.54 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.96 -21.94 59.83 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.4 m -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 123.647 0.592 . . . . 25.0 110.921 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -125.06 -11.9 7.01 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 122.263 1.03 . . . . 25.0 113.509 -172.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -140.32 168.9 18.71 Favored 'General case' 0 C--O 1.25 1.108 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -90.3 103.42 14.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 106.474 -1.676 . . . . 25.0 106.474 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 p -76.63 111.03 11.7 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 m -62.82 147.07 51.11 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.33 -39.03 44.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.151 0.581 . . . . 25.0 111.505 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -55.16 -40.09 70.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.407 0.622 . . . . 25.0 111.219 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -38.61 18.29 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.336 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.21 -46.71 72.54 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.96 -23.92 67.52 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.225 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.04 -7.7 54.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.385 -0.822 . . . . 25.0 108.908 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -83.93 -10.6 57.83 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -116.26 -162.58 0.85 Allowed 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.382 -1.711 . . . . 25.0 106.382 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.742 1.258 . . . . 25.0 111.344 171.559 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 124.712 2.196 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.53 114.1 42.52 Favored 'Isoleucine or valine' 0 C--N 1.386 2.167 0 O-C-N 120.426 -1.421 . . . . 25.0 110.783 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.08 126.52 33.16 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -163.84 168.81 19.08 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.63 145.43 55.59 Favored 'General case' 0 C--O 1.261 1.691 0 N-CA-C 105.58 -2.008 . . . . 25.0 105.58 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.31 121.84 20.66 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -158.74 165.96 33.1 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.62 79.9 0.07 OUTLIER Glycine 0 C--O 1.258 1.604 0 N-CA-C 116.676 1.43 . . . . 25.0 116.676 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m 60.21 -32.64 0.06 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 117.102 2.26 . . . . 25.0 117.102 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -61.34 -32.73 72.62 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 120.257 1.389 . . . . 25.0 112.12 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.47 -44.28 94.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 119.039 0.836 . . . . 25.0 111.872 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.35 -40.94 83.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -67.3 -41.6 85.12 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.407 -0.815 . . . . 25.0 108.881 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.77 94.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.03 -36.42 83.2 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 123.734 0.814 . . . . 25.0 110.136 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -69.18 -43.8 73.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.623 -1.298 . . . . 25.0 109.33 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.61 -39.51 80.83 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.868 -1.06 . . . . 25.0 112.693 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.7 -26.0 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 95.1 m -92.23 -26.2 18.28 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.88 29.43 63.05 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 124.342 2.079 . . . . 25.0 112.906 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 165.53 25.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.398 -1.401 . . . . 25.0 110.291 -173.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.99 -36.52 64.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.827 -2.657 . . . . 25.0 103.827 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.03 150.66 5.69 Favored Glycine 0 N--CA 1.435 -1.43 0 N-CA-C 108.258 -1.937 . . . . 25.0 108.258 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.139 0.971 . . . . 25.0 111.976 179.201 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.264 0 CA-C-O 123.814 1.785 . . . . 25.0 113.556 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tt -52.56 -46.0 48.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 CA-C-N 112.268 -1.966 . . . . 25.0 111.67 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -63.46 -45.17 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.51 -1.369 . . . . 25.0 112.026 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.01 -53.44 55.48 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.735 1.255 . . . . 25.0 113.663 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -72.7 -23.0 60.81 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 119.998 -1.689 . . . . 25.0 111.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -65.42 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -128.66 7.13 5.68 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.146 1.378 . . . . 25.0 112.673 -175.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -137.36 -173.1 3.38 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.454 -0.778 . . . . 25.0 112.189 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mm -83.37 -48.05 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 O-C-N 121.479 -0.763 . . . . 25.0 109.006 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m 50.2 69.68 0.59 Allowed 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 124.667 1.229 . . . . 25.0 110.133 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.7 m -69.15 168.23 14.48 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.223 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 HG21 ' B' ' 48' ' ' VAL . 18.5 tp -43.13 -44.42 5.01 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 114.551 1.315 . . . . 25.0 114.551 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -58.55 -38.78 78.53 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -81.21 -37.12 29.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.06 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.11 -39.42 78.62 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 122.967 1.365 . . . . 25.0 113.618 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.25 -21.08 66.28 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.038 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.4 -22.4 61.12 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -81.93 -9.82 59.47 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 120.048 -1.657 . . . . 25.0 111.474 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -93.99 50.9 1.46 Allowed 'General case' 0 C--O 1.253 1.243 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--O 1.2 -1.534 0 CA-C-O 125.169 2.414 . . . . 25.0 110.052 -178.789 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.847 1.308 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.92 114.37 27.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -82.12 106.63 14.18 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -140.92 150.97 43.85 Favored 'General case' 0 CA--C 1.482 -1.659 0 CA-C-N 120.741 1.609 . . . . 25.0 107.426 -173.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.99 141.59 56.21 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 122.439 1.114 . . . . 25.0 108.577 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.96 127.87 29.43 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.951 0.881 . . . . 25.0 109.887 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 47.1 t -140.81 -43.61 0.39 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.297 -1.502 . . . . 25.0 111.734 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 -157.31 14.05 Favored Glycine 0 N--CA 1.431 -1.641 0 O-C-N 124.097 0.873 . . . . 25.0 111.365 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -60.54 -12.14 9.04 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 119.053 1.427 . . . . 25.0 110.357 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -56.94 -32.11 65.66 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.492 -0.755 . . . . 25.0 112.512 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.44 -57.28 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.35 1.031 . . . . 25.0 112.976 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -65.1 -27.66 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.864 0 O-C-N 121.177 -0.952 . . . . 25.0 111.817 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -71.22 -37.36 72.04 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.492 0.495 . . . . 25.0 110.461 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.98 76.96 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -33.22 74.62 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-O 122.069 0.938 . . . . 25.0 112.483 175.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -68.7 -42.47 77.72 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.165 -1.584 . . . . 25.0 108.856 172.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.72 -30.4 71.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 13' ' ' LEU . 7.9 p -93.93 -39.18 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.84 23.5 4.26 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -170.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.48 68.43 3.55 Favored Glycine 0 C--O 1.217 -0.962 0 O-C-N 120.833 -1.167 . . . . 25.0 113.525 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.53 52.56 0.8 Allowed 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 58.22 34.55 24.23 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 124.362 1.065 . . . . 25.0 110.456 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.47 -29.28 7.53 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 116.412 1.325 . . . . 25.0 116.412 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 C--O 1.219 -0.548 0 O-C-N 120.154 -1.792 . . . . 25.0 110.88 -179.693 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.717 0 CA-C-O 122.924 1.291 . . . . 25.0 114.619 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -49.21 -47.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.356 -1.085 . . . . 25.0 112.49 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.62 -59.1 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.592 -0.692 . . . . 25.0 112.264 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -62.72 -26.34 68.63 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -71.56 -51.97 20.63 Favored 'General case' 0 C--O 1.191 -2.002 0 C-N-CA 119.663 -0.815 . . . . 25.0 109.509 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -76.01 -16.04 60.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 119.089 -2.257 . . . . 25.0 114.311 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.36 -23.95 60.27 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 121.424 -0.798 . . . . 25.0 111.539 172.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.26 -9.96 9.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.638 0.732 . . . . 25.0 112.067 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -134.59 164.4 27.59 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -95.23 116.49 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 106.025 -1.842 . . . . 25.0 106.025 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.5 m -92.14 109.02 20.37 Favored 'General case' 0 C--O 1.183 -2.428 0 CA-C-N 114.078 -1.419 . . . . 25.0 109.822 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -62.46 155.77 24.61 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -62.78 -29.65 70.86 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.705 -0.622 . . . . 25.0 110.889 173.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -59.02 -34.65 72.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.08 -0.509 . . . . 25.0 109.947 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -84.96 -40.08 17.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 -41.21 92.18 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 123.151 0.58 . . . . 25.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.31 -25.44 68.31 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.715 1.143 . . . . 25.0 113.546 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.09 -23.98 65.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.609 -0.682 . . . . 25.0 112.082 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.8 -19.52 61.32 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.665 -0.814 . . . . 25.0 110.575 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.98 12.55 23.55 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.195 0.998 . . . . 25.0 110.648 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--O 1.192 -1.956 0 CA-C-O 128.315 3.912 . . . . 25.0 108.266 178.597 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 N--CA 1.51 2.558 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.65 127.27 13.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 O-C-N 120.103 -1.623 . . . . 25.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -87.81 105.13 17.19 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.719 1.723 . . . . 25.0 110.169 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -142.53 163.52 32.6 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 107.745 -1.205 . . . . 25.0 107.745 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -67.14 145.65 55.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.62 104.71 8.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.92 0.488 . . . . 25.0 110.99 -173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.02 139.75 23.86 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.787 0.835 . . . . 25.0 110.811 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 87.47 0.26 Allowed Glycine 0 C--O 1.202 -1.851 0 N-CA-C 115.452 0.941 . . . . 25.0 115.452 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 61.55 -43.68 0.14 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.046 2.239 . . . . 25.0 117.046 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -39.55 69.93 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.628 1.344 . . . . 25.0 114.628 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.15 -53.9 52.86 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.45 -30.18 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 121.131 -0.981 . . . . 25.0 109.533 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.53 -48.97 75.34 Favored 'General case' 0 N--CA 1.51 2.529 0 N-CA-C 108.725 -0.843 . . . . 25.0 108.725 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.93 99.11 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.888 0.475 . . . . 25.0 110.824 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.539 0.524 . . . . 25.0 109.718 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -60.35 -44.28 95.69 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 120.932 -1.105 . . . . 25.0 112.043 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.62 -34.72 78.88 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -79.66 -29.9 13.32 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 119.382 -0.927 . . . . 25.0 109.103 -175.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.32 -51.07 40.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.422 0.451 . . . . 25.0 111.625 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.43 24.5 65.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 119.465 -1.35 . . . . 25.0 112.058 -170.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -127.38 143.98 51.13 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 118.276 1.038 . . . . 25.0 108.958 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -98.69 16.74 21.12 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.75 26.65 10.28 Favored Glycine 0 CA--C 1.541 1.688 0 O-C-N 121.232 -0.917 . . . . 25.0 113.445 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.562 1.414 0 CA-C-N 117.859 0.83 . . . . 25.0 110.444 178.28 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.597 0 CA-C-O 126.204 3.113 . . . . 25.0 115.73 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.85 -35.19 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.005 0 O-C-N 120.242 -1.74 . . . . 25.0 111.99 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.92 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.594 0 CA-C-N 114.498 -1.228 . . . . 25.0 110.114 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.29 -32.16 64.47 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.81 -38.61 64.53 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.143 -0.481 . . . . 25.0 109.706 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -40.1 9.5 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.647 0.981 . . . . 25.0 113.647 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.06 76.78 10.21 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.126 -1.609 . . . . 25.0 109.781 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.29 -40.87 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 114.722 -1.126 . . . . 25.0 112.11 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -146.9 36.83 0.95 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.28 1.038 . . . . 25.0 112.264 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt 56.59 76.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 114.341 -1.3 . . . . 25.0 110.148 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.18 148.1 45.64 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 119.558 -0.857 . . . . 25.0 112.655 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -84.96 166.2 16.97 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 118.799 -0.619 . . . . 25.0 111.356 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.94 -28.93 68.69 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.76 -38.53 78.67 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.89 -43.37 36.05 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 123.9 0.75 . . . . 25.0 110.863 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 tp -53.41 -43.1 67.68 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.86 -19.4 65.03 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 115.295 1.591 . . . . 25.0 115.295 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.06 -23.23 67.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.473 172.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.93 -7.81 57.84 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.208 0.527 . . . . 25.0 110.724 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.41 40.24 1.73 Allowed 'General case' 0 C--O 1.195 -1.809 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.378 1.816 0 C-N-CA 126.769 2.028 . . . . 25.0 114.267 179.089 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 C--O 1.196 -1.733 0 CA-C-O 121.808 0.813 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 30.9 m -91.08 161.12 2.63 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.19 146.19 42.51 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -165.81 177.99 6.84 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.58 78.41 4.09 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.16 -1.587 . . . . 25.0 110.26 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.94 119.99 14.99 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.557 -0.714 . . . . 25.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.34 168.16 21.15 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.01 -133.47 12.33 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 124.121 1.956 . . . . 25.0 114.157 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -33.3 75.48 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.863 -1.375 . . . . 25.0 114.063 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -62.62 -33.95 76.04 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -46.59 82.64 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 119.664 1.12 . . . . 25.0 109.383 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.94 -37.93 81.48 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -67.21 -50.81 59.43 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 124.945 1.403 . . . . 25.0 109.309 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.205 -1.28 0 O-C-N 121.379 -0.825 . . . . 25.0 111.146 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.07 -37.31 83.79 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.756 1.265 . . . . 25.0 111.913 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.91 -48.04 80.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.61 -42.3 99.5 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.13 -35.06 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 118.472 -0.775 . . . . 25.0 111.282 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 90.2 m -77.45 -48.58 16.78 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.598 0.561 . . . . 25.0 110.757 175.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.34 -45.9 2.41 Favored Glycine 0 C--N 1.299 -1.481 0 C-N-CA 120.94 -0.648 . . . . 25.0 111.893 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.84 69.31 0.68 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.326 1.563 . . . . 25.0 112.583 -176.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.59 45.95 23.83 Favored 'General case' 0 C--O 1.193 -1.9 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.57 -29.15 53.29 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 116.746 1.459 . . . . 25.0 116.746 -170.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 107.588 -1.264 . . . . 25.0 107.588 179.133 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.647 0 CA-C-O 124.043 1.913 . . . . 25.0 113.808 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' TYR . 9.3 tt -51.98 -41.11 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 112.09 -2.055 . . . . 25.0 111.174 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.84 -62.06 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 CA-C-O 118.507 -0.759 . . . . 25.0 109.522 -175.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.64 -25.1 66.05 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 119.462 -0.895 . . . . 25.0 110.617 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -70.47 -55.37 9.13 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.519 -0.753 . . . . 25.0 109.422 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -71.82 -16.98 62.18 Favored 'General case' 0 CA--C 1.562 1.426 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -177.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -73.92 -24.99 59.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 119.335 -0.364 . . . . 25.0 110.388 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -115.07 -30.56 6.32 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 m -107.42 165.67 11.23 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.221 -1.549 . . . . 25.0 110.339 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -89.05 104.8 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 105.041 -2.207 . . . . 25.0 105.041 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.2 m -74.19 115.66 13.95 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -67.46 154.34 41.61 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' B' ' 31' ' ' PHE . 69.8 mt -68.74 -28.45 66.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.99 -44.88 94.23 Favored 'General case' 0 C--O 1.194 -1.863 0 O-C-N 125.002 1.439 . . . . 25.0 108.872 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -74.42 -34.51 63.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 121.485 -0.759 . . . . 25.0 109.386 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.77 -38.46 81.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 118.361 0.528 . . . . 25.0 110.328 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -59.43 -24.13 63.25 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 114.353 1.242 . . . . 25.0 114.353 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.05 -20.82 60.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 124.29 1.995 . . . . 25.0 111.828 -175.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 2' ' ' ILE . 39.9 m-85 -80.19 -4.3 52.51 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.368 -1.287 . . . . 25.0 110.487 172.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -114.58 36.91 3.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.947 1.356 . . . . 25.0 111.128 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.209 -1.027 0 C-N-CA 124.852 1.261 . . . . 25.0 112.929 -171.314 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 42.7 t80 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.9 142.54 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 119.266 -2.146 . . . . 25.0 112.07 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.5 103.99 16.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.007 -1.077 . . . . 25.0 110.232 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.4 171.7 15.07 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.794 -0.567 . . . . 25.0 110.443 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.9 148.96 48.34 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.62 115.76 22.0 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 123.242 0.617 . . . . 25.0 109.52 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -131.06 -54.94 1.05 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.16 1.911 . . . . 25.0 116.16 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.91 -142.71 4.64 Favored Glycine 0 C--N 1.346 1.097 0 C-N-CA 119.196 -1.478 . . . . 25.0 112.128 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -52.71 -24.35 8.46 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 118.077 0.939 . . . . 25.0 113.428 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -57.87 -24.05 55.81 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.22 -58.26 3.98 Favored 'General case' 0 C--O 1.187 -2.199 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.52 -29.65 47.21 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.8 0 CA-C-O 121.053 0.454 . . . . 25.0 109.943 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.75 -46.86 77.25 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 122.395 1.093 . . . . 25.0 110.853 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.03 87.78 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.47 -0.769 . . . . 25.0 109.171 173.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -35.75 74.98 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 121.9 0.857 . . . . 25.0 112.364 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -69.68 -41.0 76.05 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.243 -0.89 . . . . 25.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.2 -39.49 89.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.177 -1.392 . . . . 25.0 110.76 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.07 -34.48 10.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.735 0 CA-C-N 119.719 1.145 . . . . 25.0 113.477 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -120.33 -17.07 8.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.927 1.454 . . . . 25.0 114.927 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.22 56.92 4.04 Favored Glycine 0 C--O 1.202 -1.851 0 C-N-CA 119.162 -1.494 . . . . 25.0 115.608 -169.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.48 -44.98 85.35 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.91 0.355 . . . . 25.0 110.289 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -87.58 -4.5 58.96 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 123.038 1.399 . . . . 25.0 110.393 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.96 148.79 18.8 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 114.859 -1.064 . . . . 25.0 110.983 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.255 1.364 0 CA-C-O 121.254 0.55 . . . . 25.0 111.986 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.284 0 N-CA-C 116.693 1.437 . . . . 25.0 116.693 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -60.65 -31.76 49.97 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.407 -0.896 . . . . 25.0 111.663 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.27 -48.69 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 119.465 -0.894 . . . . 25.0 110.612 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.95 -37.04 85.96 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -69.39 -33.75 73.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -21.32 13.89 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.347 1.24 . . . . 25.0 114.347 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.08 -22.98 63.97 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.018 -1.051 . . . . 25.0 109.816 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.7 p -105.21 149.21 26.14 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m 59.11 176.73 0.07 Allowed 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mm -91.6 129.17 42.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.66 146.02 38.42 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 119.311 -0.376 . . . . 25.0 111.069 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -122.28 134.33 54.67 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.83 -32.66 73.91 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.096 -0.641 . . . . 25.0 110.211 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -52.82 -54.07 39.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 123.993 0.808 . . . . 25.0 109.519 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.17 -39.87 93.53 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.61 -0.681 . . . . 25.0 111.096 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.13 -40.72 98.4 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.23 -23.38 65.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.44 -16.43 62.38 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 118.106 -0.95 . . . . 25.0 110.745 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.31 -14.06 60.47 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.8 t -107.51 -59.55 1.81 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 123.899 1.809 . . . . 25.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 124.36 2.029 . . . . 25.0 109.521 -176.554 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.196 -1.745 0 CA-C-O 121.688 0.756 . . . . 25.0 112.566 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.77 140.18 46.55 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 C-N-CA 124.183 0.993 . . . . 25.0 108.854 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.07 97.4 10.71 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.37 175.27 12.41 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 122.969 1.366 . . . . 25.0 107.699 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -75.84 146.76 39.63 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 105.796 -1.927 . . . . 25.0 105.796 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.95 125.51 44.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.56 167.0 31.8 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 -176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.83 -150.12 48.64 Favored Glycine 0 C--O 1.21 -1.357 0 N-CA-C 108.93 -1.668 . . . . 25.0 108.93 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 -35.56 80.78 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.422 0.719 . . . . 25.0 112.518 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.41 -35.61 74.3 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 117.777 -1.106 . . . . 25.0 113.232 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.35 -53.01 62.38 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.729 0.643 . . . . 25.0 111.968 172.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.72 -22.66 16.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.952 0 O-C-N 121.174 -0.953 . . . . 25.0 110.06 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -75.92 -40.27 54.58 Favored 'General case' 0 C--O 1.185 -2.302 0 CA-C-N 115.114 -0.948 . . . . 25.0 111.103 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.7 95.89 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.749 -0.595 . . . . 25.0 111.879 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.13 -40.85 98.79 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 124.114 0.883 . . . . 25.0 111.447 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.16 -40.57 94.52 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.952 -1.023 . . . . 25.0 110.817 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.41 -43.77 98.3 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.673 0.669 . . . . 25.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.34 -22.58 14.37 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 117.403 -1.719 . . . . 25.0 114.74 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 24.5 t -95.57 -45.0 7.24 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.47 -3.44 82.1 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 120.464 -1.398 . . . . 25.0 114.284 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 132.34 42.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 121.291 -1.123 . . . . 25.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -83.24 -13.19 55.83 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 121.658 0.742 . . . . 25.0 110.838 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.0 42.21 3.09 Favored Glycine 0 C--O 1.207 -1.543 0 N-CA-C 115.313 0.885 . . . . 25.0 115.313 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.319 -0.756 0 O-C-N 121.066 -1.255 . . . . 25.0 111.203 179.65 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 123.863 1.813 . . . . 25.0 115.997 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.413 HD12 ' CG ' ' A' ' 19' ' ' TYR . 12.0 tt -47.6 -47.6 10.88 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.621 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.21 -47.13 82.48 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 C-N-CA 119.598 -0.841 . . . . 25.0 111.312 -173.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -69.45 -35.28 75.51 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 118.133 -0.937 . . . . 25.0 108.842 -175.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.48 -46.2 67.21 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 120.202 1.364 . . . . 25.0 110.118 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -77.59 -13.73 59.83 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 119.859 1.209 . . . . 25.0 113.625 -175.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -84.56 -13.92 50.37 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.82 -6.46 7.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.735 -176.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -142.6 169.19 18.03 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.44 0.638 . . . . 25.0 109.676 175.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.46 93.06 4.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 123.18 1.467 . . . . 25.0 109.664 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.06 129.23 37.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.313 -1.365 . . . . 25.0 107.313 177.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -93.13 168.34 11.18 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 31' ' ' PHE . 8.2 tt -62.68 -32.89 74.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 118.691 0.678 . . . . 25.0 109.176 175.065 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -55.82 -39.41 71.34 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.117 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -90.41 -35.99 14.85 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 120.803 -1.186 . . . . 25.0 111.204 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.13 -29.87 70.63 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 115.975 -0.557 . . . . 25.0 112.231 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.08 -25.31 58.52 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 114.186 1.18 . . . . 25.0 114.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.24 -22.81 65.67 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.748 -1.22 . . . . 25.0 110.09 -178.478 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CG ' HD12 ' A' ' 2' ' ' ILE . 51.9 m-85 -82.69 -2.27 53.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.515 0.509 . . . . 25.0 109.783 176.831 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.63 43.84 1.97 Allowed 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 125.594 2.616 . . . . 25.0 113.741 -178.509 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.405 ' CD1' HD12 ' A' ' 13' ' ' LEU . 73.3 t80 . . . . . 0 C--O 1.186 -2.261 0 CA-C-O 124.726 2.203 . . . . 25.0 112.001 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.27 114.02 44.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 119.335 -2.103 . . . . 25.0 109.784 176.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.73 137.37 39.3 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -159.36 169.02 24.91 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.039 -171.038 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -72.15 144.75 48.48 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 -178.66 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.27 94.76 2.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.663 -175.228 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 t -130.89 161.12 32.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 173.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.7 -144.34 46.81 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 124.024 0.827 . . . . 25.0 113.09 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -65.35 -26.47 68.04 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.312 -1.444 . . . . 25.0 111.529 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -38.27 72.35 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.617 -0.833 . . . . 25.0 111.171 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.71 -42.21 97.98 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 118.788 -0.625 . . . . 25.0 111.293 -179.037 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -71.83 -36.47 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 122.81 1.29 . . . . 25.0 109.779 -177.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.04 -52.32 63.3 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.45 86.7 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.89 -40.43 96.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.479 . . . . 25.0 109.705 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.99 -43.17 99.41 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.86 -40.01 87.72 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.772 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.94 -36.36 73.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 98.6 m -67.91 -31.56 71.43 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 174.246 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.67 -83.53 0.35 Allowed Glycine 0 C--O 1.247 0.927 0 CA-C-O 121.833 0.685 . . . . 25.0 112.248 176.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -153.03 22.91 0.57 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -59.7 -48.07 83.13 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 119.97 -0.692 . . . . 25.0 112.77 -173.221 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.69 106.52 0.25 Allowed Glycine 0 C--O 1.198 -2.113 0 N-CA-C 110.315 -1.114 . . . . 25.0 110.315 -173.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--O 1.269 2.116 0 O-C-N 120.238 -1.742 . . . . 25.0 112.535 -179.137 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.147 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 19' ' ' TYR . 10.1 tt -47.96 -43.78 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.436 0.694 . . . . 25.0 112.201 -175.448 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.59 -53.93 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.814 -0.554 . . . . 25.0 111.691 -174.18 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -70.44 -27.29 64.15 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 120.086 -0.646 . . . . 25.0 109.912 -176.238 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -69.87 -43.19 72.38 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.669 0.747 . . . . 25.0 111.429 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.86 -30.39 26.49 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 115.853 -0.612 . . . . 25.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.16 -42.67 75.59 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 115.674 1.731 . . . . 25.0 115.674 176.636 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -80.44 -5.07 55.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.003 -0.544 . . . . 25.0 111.478 -172.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -137.65 166.53 23.7 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.592 0.557 . . . . 25.0 110.716 -176.524 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.05 123.89 26.16 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 N-CA-C 103.21 -2.885 . . . . 25.0 103.21 173.292 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 110.42 18.58 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.226 -178.251 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.89 143.02 51.13 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 123.917 0.76 . . . . 25.0 110.867 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.27 -47.19 86.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 121.536 -0.727 . . . . 25.0 111.313 176.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.19 -38.45 70.98 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -179.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -73.11 -41.0 64.5 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.941 -0.474 . . . . 25.0 109.962 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.82 -29.03 69.97 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.891 0.853 . . . . 25.0 110.082 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.26 -20.35 66.38 Favored 'General case' 0 C--O 1.193 -1.884 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.655 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.84 -17.85 61.01 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 121.016 -1.053 . . . . 25.0 108.386 -176.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HD12 ' A' ' 2' ' ' ILE . 53.6 m-85 -95.79 8.85 42.38 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 123.342 0.657 . . . . 25.0 109.703 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.26 124.33 19.97 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 123.231 1.491 . . . . 25.0 110.283 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.496 1.119 . . . . 25.0 111.176 -179.577 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.2 -1.518 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.6 t -79.71 128.63 38.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 105.918 -1.882 . . . . 25.0 105.918 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -109.77 138.76 45.67 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 123.366 1.555 . . . . 25.0 110.948 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.13 176.39 9.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.167 -0.924 . . . . 25.0 109.494 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -85.42 87.61 7.41 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.328 1.061 . . . . 25.0 108.428 167.293 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -87.11 111.42 20.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 -168.185 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 m -105.03 -82.26 0.52 Allowed 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -177.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.67 -94.67 2.02 Favored Glycine 0 N--CA 1.484 1.841 0 C-N-CA 119.623 -1.275 . . . . 25.0 115.11 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -57.76 -42.24 83.61 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.797 1.284 . . . . 25.0 112.617 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -57.67 -36.38 71.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 121.159 -0.963 . . . . 25.0 111.926 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.29 -51.65 50.22 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-N 118.903 0.774 . . . . 25.0 109.317 -174.002 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -29.22 37.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 125.355 1.659 . . . . 25.0 108.291 -175.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -71.19 -40.7 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.521 0.677 . . . . 25.0 112.597 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.73 74.56 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 121.292 -0.88 . . . . 25.0 108.663 176.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.41 -30.6 70.4 Favored 'General case' 0 N--CA 1.428 -1.535 0 O-C-N 121.372 -0.83 . . . . 25.0 111.631 176.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -63.67 -40.33 96.56 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.595 -1.316 . . . . 25.0 113.085 170.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.06 -38.08 89.79 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.804 -1.159 . . . . 25.0 109.85 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.54 -52.84 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.371 0.668 . . . . 25.0 112.063 -175.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 69.1 m -148.07 53.4 1.03 Allowed 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 120.518 -0.473 . . . . 25.0 111.13 -177.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.51 46.69 3.1 Favored Glycine 0 CA--C 1.492 -1.378 0 CA-C-N 115.85 -0.613 . . . . 25.0 114.369 175.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -48.68 69.31 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 -171.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.79 -16.56 19.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.036 0.922 . . . . 25.0 110.144 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.98 150.81 9.64 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.732 -172.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 121.137 0.494 . . . . 25.0 111.272 -178.625 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 3.836 0 N-CA-C 119.124 2.41 . . . . 25.0 119.124 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 tt -52.64 -44.95 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 CA-C-N 114.022 -1.089 . . . . 25.0 112.755 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.98 -55.59 21.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 120.285 -1.51 . . . . 25.0 112.686 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.75 -37.41 87.27 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.312 -1.736 . . . . 25.0 106.312 -175.306 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 124.049 0.843 . . . . 25.0 110.76 -178.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -84.43 -17.78 38.11 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.788 1.28 . . . . 25.0 114.007 -179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.77 -43.6 16.55 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.243 -0.911 . . . . 25.0 113.03 174.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -76.07 -26.61 56.67 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.603 1.192 . . . . 25.0 111.935 -175.335 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -138.08 146.95 43.55 Favored 'General case' 0 CA--C 1.477 -1.858 0 N-CA-C 104.727 -2.323 . . . . 25.0 104.727 173.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.95 119.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 -177.417 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 m -64.18 126.71 28.63 Favored 'General case' 0 C--O 1.244 0.81 0 O-C-N 121.619 -0.675 . . . . 25.0 110.133 171.25 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -74.61 152.85 39.19 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 119.375 -0.93 . . . . 25.0 109.002 178.122 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -59.11 -32.29 69.69 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.725 0.774 . . . . 25.0 111.104 -177.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.44 -39.93 95.8 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.022 1.329 . . . . 25.0 110.83 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -82.11 -27.84 32.59 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.973 -1.091 . . . . 25.0 109.075 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.27 -36.23 82.43 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.475 0.655 . . . . 25.0 111.662 179.313 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.7 -26.21 63.64 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.408 172.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -69.75 -21.09 63.48 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.712 -0.677 . . . . 25.0 110.287 -177.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.65 -6.41 59.35 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.898 -0.501 . . . . 25.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -82.17 109.62 16.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 123.596 1.665 . . . . 25.0 113.555 -177.319 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -67.13 117.39 8.2 Favored 'Isoleucine or valine' 0 C--O 1.259 1.593 0 O-C-N 120.885 -1.134 . . . . 25.0 109.131 -178.573 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -70.79 148.06 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -176.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -160.02 178.11 10.05 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -81.56 93.47 6.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.41 98.87 1.49 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -175.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 m -139.01 167.44 22.04 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 177.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.49 68.18 1.81 Allowed Glycine 0 C--O 1.221 -0.682 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.218 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m 71.11 -26.03 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -60.8 -35.49 76.61 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.54 -51.34 69.01 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.874 0.368 . . . . 25.0 111.736 -178.56 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -72.67 -29.72 31.26 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-O 121.494 0.664 . . . . 25.0 109.729 -177.024 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -42.5 74.67 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.901 -1.124 . . . . 25.0 109.088 177.37 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.04 99.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.047 1.403 . . . . 25.0 109.511 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -38.36 87.63 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 113.672 -1.603 . . . . 25.0 109.047 -178.235 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.66 -37.9 85.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.859 1.059 . . . . 25.0 113.859 173.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.37 -36.74 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.343 -0.223 . . . . 25.0 111.552 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.45 -28.59 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 115.461 1.652 . . . . 25.0 115.461 -178.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.55 33.23 0.27 Allowed 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.484 0.659 . . . . 25.0 112.169 -175.338 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.9 -60.74 4.08 Favored Glycine 0 C--O 1.195 -2.289 0 O-C-N 120.468 -1.395 . . . . 25.0 113.436 176.842 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 47.11 48.77 15.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 58.95 19.68 7.39 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.724 1.379 . . . . 25.0 114.724 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.84 -132.62 6.85 Favored Glycine 0 C--O 1.263 1.915 0 N-CA-C 108.872 -1.691 . . . . 25.0 108.872 173.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.162 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 178.18 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.556 0 N-CA-C 118.407 2.123 . . . . 25.0 118.407 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.1 tt -53.04 -45.58 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.251 -1.146 . . . . 25.0 112.648 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.04 -50.14 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.162 -0.961 . . . . 25.0 113.049 176.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.98 -26.1 64.86 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.612 -1.305 . . . . 25.0 110.074 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -72.24 -38.86 68.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 122.787 1.279 . . . . 25.0 112.312 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 t -93.35 -38.3 11.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.204 1.187 . . . . 25.0 114.204 -174.252 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -62.09 -23.32 66.44 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -86.99 -5.05 59.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.923 -178.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -138.04 -178.28 5.2 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.083 -1.011 . . . . 25.0 111.158 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 mm -89.31 114.97 28.21 Favored 'Isoleucine or valine' 0 C--O 1.258 1.512 0 N-CA-C 103.566 -2.753 . . . . 25.0 103.566 169.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 113.29 10.21 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 122.085 -0.385 . . . . 25.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 136.89 53.51 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 174.718 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.91 -22.99 64.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 118.863 0.756 . . . . 25.0 110.924 178.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.85 -37.21 85.57 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 122.721 1.248 . . . . 25.0 109.346 174.639 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.57 -37.22 60.07 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.688 -1.142 . . . . 25.0 108.4 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.25 -40.24 95.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 124.554 1.159 . . . . 25.0 109.49 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.97 -24.86 66.42 Favored 'General case' 0 C--O 1.255 1.355 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 177.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.58 -17.37 62.3 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.931 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -78.67 -4.21 47.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.652 -0.869 . . . . 25.0 108.652 175.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.3 t -152.97 56.93 0.79 Allowed 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 -173.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 126.041 2.829 . . . . 25.0 109.995 -172.335 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -125.89 148.55 30.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 CA-C-O 122.044 0.926 . . . . 25.0 108.987 -176.162 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -84.09 113.16 20.85 Favored 'General case' 0 C--O 1.192 -1.929 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 173.399 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.36 154.44 40.9 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.268 1.032 . . . . 25.0 110.71 -175.395 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -77.9 68.25 3.92 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 123.551 1.643 . . . . 25.0 111.606 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.4 126.37 27.12 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.563 -1.335 . . . . 25.0 108.575 -175.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -137.04 -60.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 -170.145 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 -147.55 4.07 Favored Glycine 0 C--O 1.258 1.595 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 175.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -61.51 -14.85 32.68 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.13 -1.217 . . . . 25.0 112.233 -176.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -60.57 -37.29 80.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 171.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.46 -40.66 97.7 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 124.567 1.167 . . . . 25.0 110.951 -178.207 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.86 -41.25 79.63 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 122.994 1.378 . . . . 25.0 108.229 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -68.13 -38.26 82.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.392 -1.276 . . . . 25.0 112.091 -178.056 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.93 94.61 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.563 -1.335 . . . . 25.0 111.832 174.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.93 -43.48 98.68 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 115.138 -0.937 . . . . 25.0 109.502 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -46.23 89.8 Favored 'General case' 0 CA--C 1.499 -1.011 0 C-N-CA 119.358 -0.937 . . . . 25.0 109.855 177.417 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.78 -33.74 75.8 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.1 m -81.65 -32.32 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 119.751 1.159 . . . . 25.0 110.978 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.87 -49.31 12.12 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 122.302 1.049 . . . . 25.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.9 -84.71 0.68 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 121.209 -0.932 . . . . 25.0 113.919 -178.274 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -60.42 127.66 32.83 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -177.693 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 54.14 46.34 25.58 Favored 'General case' 0 C--O 1.196 -1.731 0 N-CA-C 114.069 1.137 . . . . 25.0 114.069 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.71 -168.8 10.16 Favored Glycine 0 C--O 1.214 -1.132 0 CA-C-N 115.749 -0.66 . . . . 25.0 113.296 176.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--O 1.216 -0.696 0 C-N-CA 118.489 -1.284 . . . . 25.0 113.235 -179.221 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 CA-C-O 123.469 1.594 . . . . 25.0 115.95 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -58.59 -39.95 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.466 -1.608 . . . . 25.0 112.841 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -70.44 -44.61 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.381 -0.824 . . . . 25.0 111.237 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.1 -38.21 85.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.873 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -72.11 -54.55 9.43 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.097 0.475 . . . . 25.0 110.522 179.316 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.9 -23.33 63.22 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 -173.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -22.17 66.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.511 -0.875 . . . . 25.0 111.199 177.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -126.22 27.65 6.2 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.772 0.796 . . . . 25.0 109.088 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -141.98 172.31 12.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.436 0.636 . . . . 25.0 109.401 177.521 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.52 -42.05 25.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 175.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 m 49.0 57.4 6.49 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.754 0.788 . . . . 25.0 110.537 -173.062 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.36 157.1 20.66 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.921 -1.491 . . . . 25.0 110.613 -175.77 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.89 62.69 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -177.116 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.31 -36.78 84.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.725 0.774 . . . . 25.0 112.019 178.232 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -87.65 -38.74 15.63 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.666 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.57 -33.33 68.04 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -63.95 -19.62 65.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.764 -0.585 . . . . 25.0 110.504 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -66.72 -25.73 66.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 120.885 -1.135 . . . . 25.0 110.208 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -77.74 -7.71 56.93 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.878 -0.514 . . . . 25.0 110.658 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.56 8.16 27.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.538 0.685 . . . . 25.0 109.616 170.456 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 121.917 0.865 . . . . 25.0 110.919 177.745 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 122.159 0.98 . . . . 25.0 112.704 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.85 117.43 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 123.823 1.773 . . . . 25.0 110.591 -177.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -82.05 116.98 21.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.576 -1.328 . . . . 25.0 111.749 -178.515 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -154.69 165.12 37.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -65.95 143.99 57.05 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 120.531 -0.468 . . . . 25.0 110.645 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 147.73 29.73 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.667 0.746 . . . . 25.0 112.054 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -161.65 166.23 27.1 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.07 -141.79 47.59 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 120.072 -1.061 . . . . 25.0 111.606 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -59.73 -29.03 67.85 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.103 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -65.34 -33.72 76.63 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.24 -0.912 . . . . 25.0 109.454 -176.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.51 -52.61 51.47 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 116.118 -0.492 . . . . 25.0 109.697 -178.183 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.66 -26.7 31.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.082 -176.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.25 -41.18 67.07 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.465 -0.772 . . . . 25.0 111.526 175.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.06 94.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.712 -1.243 . . . . 25.0 108.564 177.067 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.89 -42.74 99.43 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.597 0.561 . . . . 25.0 111.421 177.551 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.54 -44.64 95.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 122.37 0.268 . . . . 25.0 111.321 178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.28 -39.81 86.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.316 1.01 . . . . 25.0 111.982 -177.661 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.97 -42.36 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.919 0.781 . . . . 25.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.05 77.07 0.11 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-O 121.68 0.752 . . . . 25.0 110.588 177.402 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.92 -119.37 0.13 Allowed Glycine 0 C--O 1.22 -0.748 0 N-CA-C 119.777 2.671 . . . . 25.0 119.777 178.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 60.74 25.39 15.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.206 0.817 . . . . 25.0 113.206 -176.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -114.96 2.29 14.22 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.55 0.944 . . . . 25.0 113.55 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.5 -49.15 4.19 Favored Glycine 0 C--O 1.212 -1.233 0 C-N-CA 120.313 -0.946 . . . . 25.0 115.178 176.798 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 177.009 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.378 0 N-CA-C 116.185 1.234 . . . . 25.0 116.185 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -43.37 -44.35 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.415 0 C-N-CA 125.483 1.513 . . . . 25.0 113.943 -170.444 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.5 -44.19 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -174.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.82 -40.36 75.96 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.519 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.18 -44.87 92.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.2 -32.96 19.52 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 117.748 2.499 . . . . 25.0 117.748 -176.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.6 t -66.96 -34.83 78.63 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 -176.79 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -97.75 142.71 29.19 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t 53.81 45.31 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.668 1.23 . . . . 25.0 110.559 178.091 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt 0.1 99.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.253 1.269 0 CA-C-N 112.297 -2.229 . . . . 25.0 116.5 -178.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -63.47 161.23 14.76 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 110.372 -0.233 . . . . 25.0 110.372 177.058 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.6 p -87.73 151.9 22.55 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 119.125 -0.465 . . . . 25.0 112.106 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.99 -17.39 63.29 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 119.978 1.263 . . . . 25.0 111.035 178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.93 -37.27 75.86 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.849 0.833 . . . . 25.0 110.756 176.724 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -72.75 -44.54 61.49 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.302 172.606 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 tp -57.69 -35.17 70.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.1 -31.39 71.08 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.996 174.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -18.67 64.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.854 1.206 . . . . 25.0 111.927 178.156 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -74.61 -19.59 60.24 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 119.449 -0.9 . . . . 25.0 111.495 177.716 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -158.79 98.63 1.51 Allowed 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.572 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.378 1.827 0 C-N-CA 126.201 1.8 . . . . 25.0 110.742 177.237 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 123.922 1.82 . . . . 25.0 114.256 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.58 130.13 26.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -178.5 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -80.56 107.94 13.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.403 0.621 . . . . 25.0 109.864 176.824 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -152.81 172.08 17.27 Favored 'General case' 0 C--O 1.253 1.246 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 -179.066 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.92 74.17 0.61 Allowed 'General case' 0 CA--C 1.558 1.285 0 O-C-N 121.223 -0.923 . . . . 25.0 112.055 175.042 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.98 121.48 14.76 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 119.981 -1.7 . . . . 25.0 108.685 178.628 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 -130.97 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.862 -1.063 . . . . 25.0 109.511 -171.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -31.61 104.76 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 116.476 1.351 . . . . 25.0 116.476 177.34 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.18 -44.24 0.34 Allowed 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 127.172 2.189 . . . . 25.0 116.565 -176.026 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -37.32 74.59 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -178.254 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.64 -49.68 67.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.014 -1.469 . . . . 25.0 113.503 175.768 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.77 -24.58 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 CA-C-N 120.085 1.312 . . . . 25.0 110.597 -178.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.22 -40.33 82.14 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 119.72 -0.792 . . . . 25.0 112.659 172.94 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.36 84.21 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.878 0.847 . . . . 25.0 111.872 175.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.88 -44.33 94.25 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-N 114.137 -1.392 . . . . 25.0 108.99 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.47 -40.7 97.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.155 -0.966 . . . . 25.0 109.879 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.2 -41.08 99.12 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.164 -176.393 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 32.6 m -80.36 -20.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.8 t -96.47 -58.09 2.15 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.63 -58.74 4.99 Favored Glycine 0 N--CA 1.47 0.927 0 O-C-N 119.995 -1.69 . . . . 25.0 112.346 -173.675 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.43 -131.27 1.02 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 -178.428 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -119.59 29.18 7.74 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 104.21 -2.515 . . . . 25.0 104.21 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 167.7 27.41 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 106.424 -2.67 . . . . 25.0 106.424 -169.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.508 2.433 0 CA-C-N 119.472 1.636 . . . . 25.0 111.583 178.198 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.933 0 N-CA-C 117.977 1.951 . . . . 25.0 117.977 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.37 -34.23 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-O 123.186 1.47 . . . . 25.0 112.444 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.61 -54.91 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 119.038 -2.289 . . . . 25.0 110.557 177.21 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -28.88 63.12 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.586 -0.846 . . . . 25.0 109.878 -171.099 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.86 -54.59 32.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 171.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -20.51 52.58 Favored 'General case' 0 C--O 1.181 -2.538 0 C-N-CA 117.529 -1.668 . . . . 25.0 112.558 -171.71 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.37 -10.04 59.1 Favored 'General case' 0 C--O 1.26 1.652 0 O-C-N 121.154 -0.966 . . . . 25.0 112.615 -179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -119.05 -10.94 9.72 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 123.61 0.569 . . . . 25.0 111.83 179.047 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -123.6 165.28 17.44 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.053 -1.029 . . . . 25.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.47 133.24 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 103.217 -2.882 . . . . 25.0 103.217 172.225 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.73 116.01 21.9 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.807 1.289 . . . . 25.0 111.442 -177.27 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.52 34.99 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 176.471 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.26 -31.64 71.26 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.377 0.989 . . . . 25.0 109.833 177.628 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.31 -43.18 96.57 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -75.98 -38.6 57.27 Favored 'General case' 0 N--CA 1.425 -1.688 0 C-N-CA 119.86 -0.736 . . . . 25.0 112.037 178.783 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -33.71 75.04 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.093 -0.379 . . . . 25.0 110.118 -177.159 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.71 -17.79 65.04 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.717 1.377 . . . . 25.0 114.717 178.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -72.85 -18.63 61.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.218 -2.176 . . . . 25.0 111.545 172.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.49 -13.79 59.84 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 123.087 1.422 . . . . 25.0 109.4 175.152 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -104.8 31.29 4.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 123.711 1.72 . . . . 25.0 109.106 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--O 1.194 -1.823 0 CA-C-O 123.711 1.72 . . . . 25.0 115.322 176.436 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.193 -1.881 0 CA-C-O 121.361 0.6 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -116.63 140.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.016 -1.677 . . . . 25.0 110.863 174.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -79.08 88.35 4.82 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 110.263 -0.273 . . . . 25.0 110.263 176.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -140.46 169.36 17.8 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.07 135.78 49.61 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.021 -2.214 . . . . 25.0 105.021 172.079 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -132.13 127.04 35.12 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.782 -0.574 . . . . 25.0 109.788 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -139.67 176.38 8.78 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 35.55 -124.85 0.71 Allowed Glycine 0 C--O 1.261 1.806 0 N-CA-C 116.401 1.32 . . . . 25.0 116.401 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.2 p -66.5 -30.55 70.91 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 115.35 1.611 . . . . 25.0 115.35 -174.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -69.2 -37.85 78.31 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.375 -0.828 . . . . 25.0 110.054 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.72 -48.14 67.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.61 -26.28 23.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 118.524 -1.27 . . . . 25.0 110.129 -178.14 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -48.31 80.07 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.09 -0.644 . . . . 25.0 112.099 171.721 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.38 92.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.348 -0.842 . . . . 25.0 109.956 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.68 -28.39 69.04 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.09 -35.94 66.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 119.653 -1.904 . . . . 25.0 111.254 172.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.04 -34.56 78.29 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.112 -0.992 . . . . 25.0 109.246 -177.1 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.36 -22.8 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.85 15.18 1.55 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.651 1.352 . . . . 25.0 114.651 -171.687 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.21 -56.72 23.65 Favored Glycine 0 C--O 1.27 2.377 0 N-CA-C 120.004 2.762 . . . . 25.0 120.004 -175.371 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 39.49 -106.5 0.06 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -172.766 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -128.39 20.49 6.22 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 121.913 -0.492 . . . . 25.0 111.624 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.71 -71.23 1.3 Allowed Glycine 0 C--N 1.349 1.263 0 C-N-CA 119.83 -1.176 . . . . 25.0 112.387 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 CA--C 1.474 -1.948 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 -176.222 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -2.272 0 CA-C-O 123.454 1.586 . . . . 25.0 113.764 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -57.26 -32.74 41.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 119.092 -2.417 . . . . 25.0 113.895 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 121.294 1.861 . . . . 25.0 110.426 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.25 -28.45 68.06 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 119.205 -0.998 . . . . 25.0 111.991 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -65.51 -48.89 71.02 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 122.357 1.075 . . . . 25.0 110.784 175.466 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -78.39 -23.47 46.78 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 120.531 -1.356 . . . . 25.0 113.128 -173.21 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -73.45 -22.79 60.09 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.471 -0.768 . . . . 25.0 112.854 175.006 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -113.41 -17.42 12.25 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 114.73 1.382 . . . . 25.0 114.73 -178.607 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -141.74 158.33 43.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -74.41 131.84 34.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -178.758 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 p -118.65 161.76 19.54 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 171.165 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -146.4 -177.72 5.78 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.246 -0.909 . . . . 25.0 108.947 177.076 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.06 -36.9 66.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.33 -1.795 . . . . 25.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.31 -44.68 92.53 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 120.446 1.476 . . . . 25.0 112.52 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -73.79 -40.9 63.08 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.931 0.872 . . . . 25.0 109.108 177.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.6 -39.55 94.67 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.367 -0.833 . . . . 25.0 112.362 -172.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.23 -5.81 25.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.761 -0.776 . . . . 25.0 113.028 -179.263 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -70.28 -20.08 63.06 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 174.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -102.29 11.42 38.17 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.099 -1.001 . . . . 25.0 110.409 -178.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -3.32 58.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.067 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.188 -2.172 1 CA-C-O 129.261 4.362 . . . . 25.0 113.122 171.616 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.196 -1.759 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.93 132.87 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 CA-C-O 123.258 1.504 . . . . 25.0 109.399 176.612 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -77.0 129.22 35.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.592 -1.318 . . . . 25.0 109.238 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -147.65 175.26 11.02 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 -179.313 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -86.83 130.8 34.32 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 162.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.08 143.36 50.5 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 103.842 -2.651 . . . . 25.0 103.842 176.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -165.23 66.66 0.13 Allowed 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 122.655 1.217 . . . . 25.0 113.632 -171.217 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.47 -153.36 25.23 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 109.582 -1.407 . . . . 25.0 109.582 -174.309 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -59.67 -28.28 67.14 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 117.095 2.258 . . . . 25.0 117.095 -174.075 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -39.45 76.05 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.078 177.315 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.68 -52.91 25.86 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -178.089 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.2 -41.3 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 -178.344 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -69.7 -48.17 60.57 Favored 'General case' 0 N--CA 1.519 2.976 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -175.641 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.34 79.29 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.304 1.05 . . . . 25.0 111.119 176.227 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.25 -32.99 74.39 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 114.201 -1.363 . . . . 25.0 109.604 -175.421 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.38 -41.97 72.35 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.615 0.722 . . . . 25.0 111.947 173.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -58.52 -33.92 70.39 Favored 'General case' 0 C--O 1.265 1.88 0 CA-C-O 117.861 -1.066 . . . . 25.0 111.924 178.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -96.56 -43.66 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 177.56 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 14.84 14.22 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.965 -1.084 . . . . 25.0 111.918 -169.532 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 7.71 0.84 Allowed Glycine 0 C--O 1.205 -1.698 0 CA-C-O 116.26 -2.411 . . . . 25.0 116.529 -177.146 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -67.71 -29.44 68.69 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.656 1.728 . . . . 25.0 109.925 176.582 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -148.17 5.46 0.75 Allowed 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 175.206 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.73 -34.48 56.42 Favored Glycine 0 N--CA 1.419 -2.473 0 N-CA-C 118.706 2.242 . . . . 25.0 118.706 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.201 -1.472 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 173.716 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 123.468 1.593 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 tt -60.13 -40.84 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 O-C-N 120.632 -1.51 . . . . 25.0 108.179 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.69 -47.25 91.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.251 -179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.64 -13.22 56.85 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 118.993 0.815 . . . . 25.0 111.776 -177.717 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -81.8 -42.19 20.06 Favored 'General case' 0 C--O 1.202 -1.424 0 CA-C-N 117.718 0.236 . . . . 25.0 110.968 174.826 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 t -84.78 -57.45 3.11 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-O 122.047 0.927 . . . . 25.0 111.274 -176.624 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.44 73.2 7.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.053 -1.03 . . . . 25.0 111.222 -176.122 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -158.38 -27.62 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.734 176.606 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -146.47 39.68 1.08 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 121.849 0.833 . . . . 25.0 112.445 -175.826 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt 66.6 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 123.832 1.777 . . . . 25.0 112.588 -178.429 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.5 128.25 35.16 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 113.777 -1.556 . . . . 25.0 108.202 174.554 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -121.81 144.73 48.65 Favored 'General case' 0 CA--C 1.485 -1.541 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 -174.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.12 -37.17 69.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.575 -1.193 . . . . 25.0 110.909 -176.537 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.38 -47.47 47.59 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.531 -0.747 . . . . 25.0 111.379 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -29.54 15.31 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.573 0.582 . . . . 25.0 112.573 -176.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -38.48 85.76 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 122.049 0.928 . . . . 25.0 113.334 177.139 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -22.34 65.5 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 121.005 -1.059 . . . . 25.0 109.928 176.497 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -68.17 -18.42 64.6 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.086 -1.634 . . . . 25.0 110.997 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -77.44 -0.8 27.28 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.204 177.022 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -77.8 128.58 34.23 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 121.416 0.627 . . . . 25.0 110.625 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 124.822 2.249 . . . . 25.0 112.013 174.228 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.92 133.38 66.25 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.718 0 N-CA-C 105.825 -1.916 . . . . 25.0 105.825 172.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -76.87 101.9 6.11 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -129.13 160.82 31.65 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -61.16 128.3 35.74 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.17 -0.956 . . . . 25.0 110.801 175.627 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.03 127.8 27.21 Favored 'General case' 0 C--O 1.209 -1.059 0 C-N-CA 124.46 1.104 . . . . 25.0 110.197 -178.286 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.54 164.45 37.58 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.702 0.683 . . . . 25.0 109.814 -176.564 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.28 -145.58 47.73 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 120.392 1.451 . . . . 25.0 112.147 172.029 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -57.99 -35.77 71.68 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 114.104 1.15 . . . . 25.0 114.104 179.296 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -60.47 -40.05 89.85 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.177 0.806 . . . . 25.0 113.177 -178.633 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.85 -46.88 67.35 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 123.08 1.419 . . . . 25.0 113.7 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.09 -34.03 57.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 114.526 -1.216 . . . . 25.0 109.587 -177.287 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.5 -41.04 73.16 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 122.391 1.091 . . . . 25.0 111.205 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.56 75.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.329 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.61 -41.37 98.94 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 122.431 0.292 . . . . 25.0 111.495 173.419 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.447 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 59.1 t80 -61.44 -40.44 94.47 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.114 -1.035 . . . . 25.0 113.004 175.104 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.23 -43.09 82.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.341 0.256 . . . . 25.0 110.755 -174.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.62 -32.58 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.641 0.588 . . . . 25.0 112.123 -177.056 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.22 39.57 0.01 OUTLIER 'General case' 0 CA--C 1.604 3.049 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -172.391 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 50' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -86.5 -162.97 37.79 Favored Glycine 0 C--O 1.242 0.599 0 N-CA-C 118.36 2.104 . . . . 25.0 118.36 -178.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.76 179.01 6.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.862 1.665 . . . . 25.0 114.705 -178.56 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.3 -16.2 64.13 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.611 1.338 . . . . 25.0 114.611 -178.671 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.78 0.0 79.08 Favored Glycine 0 C--O 1.184 -2.992 0 N-CA-C 116.376 1.31 . . . . 25.0 116.376 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -173.708 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.852 0 CA-C-O 122.24 0.911 . . . . 25.0 111.111 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -33.48 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.243 172.852 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.93 -45.65 96.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 121.914 -0.491 . . . . 25.0 111.254 -177.298 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -84.81 -22.29 29.57 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.295 -177.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.6 -34.75 74.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.145 0.578 . . . . 25.0 111.02 175.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.12 -43.82 11.99 Favored 'General case' 0 C--O 1.258 1.549 0 CA-C-O 119.268 -0.396 . . . . 25.0 110.508 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -82.12 54.24 2.46 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -177.107 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -152.66 -5.65 0.21 Allowed 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.496 1.617 . . . . 25.0 109.779 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -148.41 -179.5 7.0 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.003 -1.685 . . . . 25.0 107.037 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.34 125.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 104.269 -2.493 . . . . 25.0 104.269 164.558 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.55 125.78 35.72 Favored 'General case' 0 CA--C 1.584 2.275 0 O-C-N 120.922 -1.111 . . . . 25.0 109.861 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -89.87 153.05 20.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 122.016 0.912 . . . . 25.0 108.651 -176.065 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.46 -24.97 66.51 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.395 -1.275 . . . . 25.0 107.921 174.708 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -66.28 -42.97 87.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 123.291 0.636 . . . . 25.0 112.601 -176.117 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.64 -31.84 28.58 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 177.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 23.0 tp -55.38 -40.67 71.62 Favored 'General case' 0 CA--C 1.564 1.511 0 O-C-N 121.189 -0.944 . . . . 25.0 112.416 172.189 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.16 -15.09 63.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 176.77 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -73.7 -23.08 59.76 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 119.846 -0.742 . . . . 25.0 109.854 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 17.8 m-85 -84.62 -2.98 58.23 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.69 0.619 . . . . 25.0 110.089 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -108.22 21.53 17.21 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.614 -176.168 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--O 1.199 -1.59 0 CA-C-O 122.91 1.338 . . . . 25.0 110.166 -177.294 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 116.018 1.859 . . . . 25.0 116.018 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.99 89.32 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 O-C-N 120.08 -1.637 . . . . 25.0 109.838 177.614 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -80.94 101.85 9.74 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 105.12 -2.178 . . . . 25.0 105.12 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -156.5 169.67 24.11 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.18 -1.575 . . . . 25.0 107.733 -168.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.5 83.4 1.49 Allowed 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 121.743 0.783 . . . . 25.0 109.113 165.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.65 121.6 24.88 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.01 -178.99 6.32 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 -176.163 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.29 -134.92 37.07 Favored Glycine 0 C--N 1.318 -0.454 0 N-CA-C 115.528 0.971 . . . . 25.0 115.528 171.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 95.3 p -77.02 -24.84 52.1 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.764 0.826 . . . . 25.0 113.127 178.382 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -64.28 -26.25 68.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 121.327 -0.858 . . . . 25.0 112.653 176.249 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.0 -53.74 18.95 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.718 -0.674 . . . . 25.0 110.225 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.56 -35.03 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 122.053 -0.404 . . . . 25.0 111.084 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -43.3 94.77 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.267 0.839 . . . . 25.0 113.267 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.85 81.71 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -179.183 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.3 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.45 -44.39 91.26 Favored 'General case' 0 C--O 1.248 0.98 0 O-C-N 120.934 -1.103 . . . . 25.0 112.838 176.738 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.48 -38.78 92.21 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 113.505 0.928 . . . . 25.0 113.505 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.66 -29.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.861 177.347 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -82.73 -46.7 12.85 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 119.585 -1.947 . . . . 25.0 112.517 -175.273 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.19 72.71 Favored Glycine 0 C--O 1.179 -3.3 0 O-C-N 120.998 -1.064 . . . . 25.0 113.622 -174.087 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.31 -74.65 0.34 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -171.345 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -160.18 -30.66 0.06 Allowed 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.91 168.02 11.42 Favored Glycine 0 N--CA 1.478 1.482 0 CA-C-O 118.357 -1.246 . . . . 25.0 111.958 -179.385 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 C--O 1.267 1.994 0 O-C-N 124.343 0.673 . . . . 25.0 111.566 179.315 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.665 0 CA-C-O 122.518 1.065 . . . . 25.0 114.273 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 tt -52.75 -44.7 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -177.757 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.1 t -57.33 -52.55 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.09 -0.382 . . . . 25.0 111.83 176.025 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.61 -39.71 94.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.056 0.844 . . . . 25.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.78 -39.12 83.85 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 173.553 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.46 -24.25 31.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 25.0 109.86 -177.476 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -74.11 -39.06 63.63 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -176.761 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -86.33 151.24 23.74 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.236 -1.394 . . . . 25.0 107.236 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p 58.06 -172.92 0.09 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.827 -1.078 . . . . 25.0 110.777 -178.202 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.73 126.02 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.064 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 116.65 27.46 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.753 -1.202 . . . . 25.0 107.753 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 p -94.29 151.59 19.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -175.477 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.3 -25.25 63.24 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.101 -1.0 . . . . 25.0 108.978 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.56 -40.91 93.35 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.489 -0.757 . . . . 25.0 110.029 174.677 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -77.36 -37.72 51.67 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 121.736 -0.602 . . . . 25.0 111.194 177.109 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.4 -29.3 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.72 -24.05 67.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 175.184 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.53 -23.06 67.15 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 175.441 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -89.17 -8.81 52.92 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.195 -0.941 . . . . 25.0 109.122 -178.609 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.81 33.38 5.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.161 -0.927 . . . . 25.0 109.722 173.569 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.19 -2.045 0 CA-C-O 125.142 2.401 . . . . 25.0 109.742 176.045 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.843 0.83 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.56 140.17 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.701 -1.25 . . . . 25.0 108.252 174.639 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -80.63 98.92 7.88 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 175.396 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.86 -177.73 6.07 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-O 118.473 -0.775 . . . . 25.0 110.082 -174.72 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -83.77 80.32 9.18 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 176.792 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 117.68 18.15 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 -178.102 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 34.7 t -157.4 65.54 0.49 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.936 -166.894 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.93 -146.16 13.29 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -58.91 -28.85 66.6 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.0 1.4 . . . . 25.0 113.644 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -29.52 70.71 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 114.64 1.348 . . . . 25.0 114.64 176.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.75 -52.48 25.03 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.38 -23.36 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.15 -1.02 . . . . 25.0 111.861 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -71.75 -43.09 66.41 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 120.997 -1.064 . . . . 25.0 110.717 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.62 82.24 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 174.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.77 -45.16 86.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 119.371 -0.347 . . . . 25.0 111.239 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -59.19 -43.13 92.19 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-O 118.494 -0.765 . . . . 25.0 109.814 175.738 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.76 -42.27 99.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.141 -0.624 . . . . 25.0 112.293 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.44 -22.49 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 O-C-N 120.998 -1.064 . . . . 25.0 111.545 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -41.5 54.77 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 120.714 -1.241 . . . . 25.0 109.622 175.275 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.08 -75.92 0.25 Allowed Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.258 1.663 . . . . 25.0 117.258 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -149.48 1.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 117.009 2.226 . . . . 25.0 117.009 -167.622 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.8 -30.49 71.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -178.845 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.81 141.41 9.95 Favored Glycine 0 C--N 1.308 -1.02 0 N-CA-C 109.939 -1.264 . . . . 25.0 109.939 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--O 1.237 0.435 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 -179.766 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 114.256 0.462 . . . . 25.0 114.256 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 19' ' ' TYR . 8.5 tt -56.9 -36.35 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 O-C-N 120.293 -1.71 . . . . 25.0 112.09 177.128 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.33 -56.53 15.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 O-C-N 120.901 -1.125 . . . . 25.0 112.253 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.5 -25.55 68.04 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.059 -1.651 . . . . 25.0 113.236 -178.183 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -77.71 -43.94 29.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 175.709 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.43 -32.98 42.94 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.004 0.907 . . . . 25.0 113.399 -174.349 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.3 m -64.08 -13.92 50.88 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 117.011 2.226 . . . . 25.0 117.011 -178.089 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.13 1.67 11.38 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -178.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -138.8 160.26 40.13 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.75 0.786 . . . . 25.0 111.217 -176.054 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -77.2 125.08 36.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 118.028 -1.469 . . . . 25.0 107.373 176.116 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.0 m -97.36 119.96 36.84 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 115.154 1.539 . . . . 25.0 115.154 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -82.32 156.68 24.14 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' B' ' 31' ' ' PHE . 31.6 mt -67.77 -34.28 76.49 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.492 0.663 . . . . 25.0 110.488 176.006 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -52.19 -45.51 65.21 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.401 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 -48.28 14.13 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.486 -0.759 . . . . 25.0 111.485 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.74 -38.88 70.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -178.596 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.38 -19.59 65.58 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -67.14 -22.06 65.8 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 120.914 0.388 . . . . 25.0 111.873 179.867 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.423 ' CG ' HD12 ' A' ' 2' ' ' ILE . 98.8 m-85 -84.45 -6.46 59.38 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.585 177.671 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -89.2 -55.0 3.85 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.763 0.792 . . . . 25.0 110.698 177.166 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 C--O 1.19 -2.037 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 174.083 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 13' ' ' LEU . 40.4 t80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 123.049 1.404 . . . . 25.0 112.767 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.46 110.92 27.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.039 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -76.33 96.18 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.667 1.223 . . . . 25.0 109.681 173.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.68 176.58 8.55 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.114 -1.403 . . . . 25.0 111.76 -170.826 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -92.83 -29.41 15.98 Favored 'General case' 0 C--O 1.191 -2.007 0 C-N-CA 124.313 1.045 . . . . 25.0 112.631 178.806 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt 45.72 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.914 1.45 . . . . 25.0 114.914 176.313 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -124.48 112.02 16.4 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -176.18 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.37 128.84 0.31 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 115.216 0.846 . . . . 25.0 115.216 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m 58.18 -61.79 0.03 OUTLIER 'General case' 0 N--CA 1.523 3.191 0 N-CA-C 115.671 1.73 . . . . 25.0 115.671 -174.122 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.21 -31.63 72.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.197 1.799 . . . . 25.0 114.558 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.97 -57.64 11.93 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 122.072 0.939 . . . . 25.0 111.916 175.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.88 -23.97 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -70.56 -45.37 65.55 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 121.639 0.733 . . . . 25.0 111.896 176.499 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.72 74.88 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 121.692 -0.63 . . . . 25.0 110.986 172.946 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -43.4 81.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.665 -1.272 . . . . 25.0 111.22 177.171 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.84 -47.27 86.41 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.231 0.923 . . . . 25.0 109.862 178.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.0 -46.06 83.0 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.788 -174.848 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.14 -31.73 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.179 -1.575 . . . . 25.0 109.73 -178.045 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.68 -33.28 58.26 Favored 'General case' 0 N--CA 1.515 2.812 0 CA-C-O 123.067 1.413 . . . . 25.0 112.288 -177.896 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.86 65.25 1.99 Allowed Glycine 0 N--CA 1.44 -1.082 0 O-C-N 120.39 -1.444 . . . . 25.0 112.127 -178.623 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 66.46 -140.69 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 113.069 -1.565 . . . . 25.0 110.879 -171.335 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 62.96 17.34 9.98 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.482 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.21 166.0 30.17 Favored Glycine 0 CA--C 1.476 -2.378 0 CA-C-O 116.971 -2.016 . . . . 25.0 110.092 178.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 116.542 2.052 . . . . 25.0 116.542 -179.894 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.204 0 CA-C-O 120.878 0.155 . . . . 25.0 113.172 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -59.22 -34.19 53.01 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.864 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.23 -55.88 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.054 0 C-N-CA 118.115 -1.434 . . . . 25.0 109.843 -174.654 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.01 -26.16 68.73 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 118.921 -0.561 . . . . 25.0 111.665 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.09 -51.74 23.37 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 118.578 0.626 . . . . 25.0 110.901 175.19 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 m -68.36 -26.03 65.37 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.62 -13.72 60.35 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.386 -1.446 . . . . 25.0 114.263 176.263 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -125.18 -18.15 5.49 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -131.08 156.34 45.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.586 1.155 . . . . 25.0 112.003 173.519 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -77.21 133.59 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -178.123 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.84 84.13 2.16 Favored 'General case' 0 C--O 1.192 -1.939 0 CA-C-O 121.15 0.5 . . . . 25.0 110.063 172.765 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -62.99 168.29 4.13 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 119.034 -0.508 . . . . 25.0 109.646 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' B' ' 31' ' ' PHE . 2.0 tt -53.8 -34.43 59.14 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 119.407 1.003 . . . . 25.0 112.295 177.566 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -53.6 -35.7 61.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 25.0 111.784 174.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -85.03 -44.35 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.57 1.176 . . . . 25.0 109.105 -178.806 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.56 -32.64 67.32 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.475 -1.693 . . . . 25.0 111.705 -175.588 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.67 -23.09 65.85 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.92 1.082 . . . . 25.0 113.92 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.39 -26.24 60.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.881 0.764 . . . . 25.0 111.625 174.512 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -81.0 -0.33 39.12 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.0 3.05 55.74 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 123.501 1.62 . . . . 25.0 110.719 171.365 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.388 2.246 0 CA-C-O 126.03 2.824 . . . . 25.0 112.279 176.106 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 33.2 t80 . . . . . 0 N--CA 1.513 2.706 0 CA-C-O 126.122 2.868 . . . . 25.0 115.989 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.67 125.59 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 CA-C-N 112.848 -1.978 . . . . 25.0 107.348 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.12 101.83 6.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 119.897 -0.721 . . . . 25.0 110.967 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.51 166.62 23.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.131 0.972 . . . . 25.0 113.405 178.095 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.73 148.26 33.11 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-O 122.843 1.306 . . . . 25.0 108.555 171.844 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -132.72 133.09 43.06 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 -177.624 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -146.68 -49.12 0.19 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -173.559 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.33 -132.09 6.46 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 120.978 -1.076 . . . . 25.0 112.668 -177.014 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -66.76 -27.18 67.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 118.516 -0.754 . . . . 25.0 111.987 -178.597 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -39.21 71.97 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 118.492 0.587 . . . . 25.0 110.215 177.748 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.06 -54.19 33.99 Favored 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.991 -1.068 . . . . 25.0 109.559 -178.23 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.98 -27.37 29.77 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.842 0 C-N-CA 118.981 -1.088 . . . . 25.0 113.674 -175.093 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.65 -52.45 51.63 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 118.284 -0.865 . . . . 25.0 112.665 168.837 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.41 90.85 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.001 1.273 . . . . 25.0 109.563 -177.559 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.87 -40.3 92.44 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 174.599 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.28 -46.97 84.32 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.352 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.43 -35.98 82.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.952 -1.099 . . . . 25.0 110.482 -175.524 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.59 -37.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 -175.545 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.53 44.13 1.51 Allowed 'General case' 0 C--O 1.25 1.079 0 C-N-CA 122.973 0.509 . . . . 25.0 112.172 -175.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.59 45.05 0.5 Allowed Glycine 0 CA--C 1.542 1.768 0 N-CA-C 119.052 2.381 . . . . 25.0 119.052 -171.819 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.69 -31.63 66.98 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -176.25 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -77.27 -8.99 58.52 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.324 1.05 . . . . 25.0 110.978 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -78.9 0.34 Allowed Glycine 0 C--O 1.187 -2.795 0 CA-C-O 118.043 -1.421 . . . . 25.0 115.487 174.457 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 123.258 1.504 . . . . 25.0 113.868 -178.692 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.355 0 N-CA-C 116.268 1.267 . . . . 25.0 116.268 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -52.11 -45.4 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 O-C-N 121.192 -1.181 . . . . 25.0 112.393 -177.077 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.88 -59.14 2.98 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-N 118.509 0.595 . . . . 25.0 111.862 -178.277 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.08 -20.95 65.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 118.146 -0.931 . . . . 25.0 112.481 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -73.83 -38.24 64.61 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.255 0.934 . . . . 25.0 111.538 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -45.07 14.66 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 177.187 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.05 -0.14 1.49 Allowed 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.156 2.65 . . . . 25.0 118.156 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -124.34 124.37 42.24 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 176.037 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t 61.9 -178.71 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.872 0.869 . . . . 25.0 112.433 -166.255 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -91.52 119.85 39.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.65 166.64 11.4 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 176.901 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -142.92 171.37 14.14 Favored 'General case' 0 C--O 1.261 1.687 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 -171.36 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.06 -32.38 66.16 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 125.724 1.89 . . . . 25.0 111.305 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.86 -42.59 72.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.008 -1.451 . . . . 25.0 110.554 -178.898 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -85.7 -37.79 19.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -31.39 71.09 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 119.562 -0.256 . . . . 25.0 111.679 -174.135 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.06 -14.4 60.37 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 174.83 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.63 -39.53 88.59 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 174.695 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.26 -10.65 57.48 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.568 -0.708 . . . . 25.0 110.529 -176.004 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.7 m -143.37 63.93 1.35 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 121.373 0.606 . . . . 25.0 111.685 -176.375 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.558 1.171 . . . . 25.0 111.143 -179.626 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.691 1.71 . . . . 25.0 115.173 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 106.13 19.11 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 CA-C-N 114.775 -1.102 . . . . 25.0 111.622 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.35 105.72 16.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.481 177.124 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -147.78 -175.72 4.98 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.429 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -69.11 -29.33 67.38 Favored 'General case' 0 C--O 1.183 -2.408 0 O-C-N 121.863 -0.523 . . . . 25.0 111.615 177.259 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mp 53.38 80.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.394 0.616 . . . . 25.0 111.576 179.109 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.55 163.7 23.58 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.04 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.35 -142.09 42.06 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 108.374 -1.891 . . . . 25.0 108.374 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -59.11 -32.79 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 178.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -57.89 -44.97 87.05 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.994 0.809 . . . . 25.0 110.018 -177.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -57.2 -51.74 68.11 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.454 0.471 . . . . 25.0 112.231 -177.378 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.88 -29.46 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.441 0.463 . . . . 25.0 112.039 -175.367 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -75.0 -39.63 61.09 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.163 -0.96 . . . . 25.0 113.036 176.63 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.4 -32.8 70.58 Favored 'General case' 0 C--O 1.268 2.046 0 CA-C-O 118.266 -0.873 . . . . 25.0 108.672 176.185 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.65 -42.34 74.36 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 118.235 -1.386 . . . . 25.0 112.538 175.786 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.79 -45.54 67.23 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-O 122.324 1.059 . . . . 25.0 110.886 176.829 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.36 -47.79 75.22 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.302 -1.317 . . . . 25.0 112.999 -177.001 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.4 p -75.73 -29.13 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 O-C-N 123.355 0.41 . . . . 25.0 111.078 -173.173 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -48.77 13.14 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 179.031 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 25.59 39.27 Favored Glycine 0 N--CA 1.478 1.436 0 O-C-N 123.536 0.523 . . . . 25.0 113.599 175.714 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -130.86 167.35 19.08 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 123.644 0.778 . . . . 25.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.06 61.24 2.57 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.419 1.088 . . . . 25.0 109.014 176.816 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.55 -24.19 76.29 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.035 -0.826 . . . . 25.0 111.035 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 C--N 1.305 -1.341 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 CA-C-O 122.961 1.312 . . . . 25.0 115.409 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.18 -37.14 60.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.074 -1.839 . . . . 25.0 112.143 173.712 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.03 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.93 -17.95 64.03 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -174.081 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -84.73 -37.47 20.86 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.218 0.821 . . . . 25.0 113.218 178.057 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.43 -25.27 14.26 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -175.008 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -88.15 43.6 1.14 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.803 1.287 . . . . 25.0 110.003 -176.183 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.95 126.25 7.29 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.39 21.86 2.57 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -173.026 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 mm 33.72 100.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 C-N-CA 127.537 2.335 . . . . 25.0 114.624 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -58.82 149.81 25.65 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.42 -1.263 . . . . 25.0 112.279 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -77.0 169.17 18.83 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.283 0.845 . . . . 25.0 113.283 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.79 -29.86 70.41 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 178.726 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.79 -41.79 67.64 Favored 'General case' 0 C--O 1.193 -1.907 0 O-C-N 121.03 -1.044 . . . . 25.0 110.085 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -89.25 -33.21 17.06 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 118.579 -1.248 . . . . 25.0 108.765 177.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.77 72.06 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -175.703 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.6 -25.98 68.48 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.889 173.951 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.36 -27.87 68.88 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 120.616 -1.303 . . . . 25.0 109.285 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.92 -15.52 60.17 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.234 -0.916 . . . . 25.0 109.672 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -72.59 -14.46 61.62 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.886 0.741 . . . . 25.0 109.324 175.639 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 125.369 1.468 . . . . 25.0 114.909 -177.561 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.186 -2.288 0 CA-C-O 122.427 1.108 . . . . 25.0 113.258 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.96 127.2 65.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 178.755 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.9 30.04 5.82 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.477 -0.764 . . . . 25.0 111.446 -176.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 59.25 177.57 0.08 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-N 114.017 -1.447 . . . . 25.0 113.936 -178.608 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -92.63 86.18 5.5 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -117.09 142.46 46.96 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 -177.55 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 -37.5 0.32 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.512 1.133 . . . . 25.0 113.61 -178.646 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.15 -139.2 4.65 Favored Glycine 0 C--O 1.184 -2.988 0 C-N-CA 119.484 -1.341 . . . . 25.0 113.784 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.1 p -57.16 -30.56 64.57 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 123.047 1.403 . . . . 25.0 111.509 -178.364 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -58.74 -34.87 71.87 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.325 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.73 -53.48 32.93 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 -173.889 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.87 -21.18 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 CA-C-O 121.412 0.625 . . . . 25.0 112.137 -179.728 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.58 -44.6 50.07 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.278 -1.514 . . . . 25.0 108.772 177.448 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.13 79.75 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -178.073 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.69 -43.94 87.7 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.801 0.688 . . . . 25.0 110.143 179.3 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -55.4 -45.75 76.66 Favored 'General case' 0 C--O 1.246 0.881 0 C-N-CA 119.715 -0.794 . . . . 25.0 112.312 172.747 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.12 -40.27 94.27 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.235 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.2 -24.81 11.59 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 C-N-CA 119.76 -0.776 . . . . 25.0 112.821 -177.725 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.4 m -78.04 -38.02 45.57 Favored 'General case' 0 C--O 1.256 1.413 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.351 172.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 -88.62 0.43 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.318 -0.944 . . . . 25.0 113.628 179.07 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -160.26 127.9 4.56 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 -175.066 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -148.3 -113.19 0.07 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -177.262 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.4 53.23 0.42 Allowed Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 107.61 -2.196 . . . . 25.0 107.61 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 -172.737 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.143 0 CA-C-O 123.615 1.675 . . . . 25.0 114.439 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 19' ' ' TYR . 4.0 tt -57.78 -38.84 67.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 113.669 -1.266 . . . . 25.0 112.548 -172.217 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.77 -53.22 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 119.37 -0.932 . . . . 25.0 111.216 -174.733 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.97 -31.49 71.85 Favored 'General case' 0 C--O 1.174 -2.913 0 CA-C-O 117.893 -1.051 . . . . 25.0 110.036 178.356 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.39 -48.47 64.62 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 119.885 1.221 . . . . 25.0 113.279 173.663 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -26.9 63.28 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.331 1.062 . . . . 25.0 112.844 -177.286 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 35' ' ' HIS . 15.4 t -67.31 -30.39 70.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 120.9 -1.125 . . . . 25.0 113.281 177.909 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -96.5 -21.19 17.86 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.725 1.75 . . . . 25.0 115.725 175.558 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -146.13 131.81 18.91 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.128 -0.983 . . . . 25.0 109.608 174.552 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.84 120.49 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 119.554 1.07 . . . . 25.0 110.465 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 m -65.7 144.65 56.78 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.889 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -69.82 136.69 51.08 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 175.648 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -30.18 71.33 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.59 -0.694 . . . . 25.0 109.331 179.029 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.37 -37.63 84.06 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 119.03 -0.509 . . . . 25.0 111.699 177.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -84.47 -37.28 21.56 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.289 -0.964 . . . . 25.0 110.96 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.04 -35.42 71.3 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.11 -28.39 66.48 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 176.088 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -76.02 -11.21 59.91 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.591 -0.731 . . . . 25.0 112.122 -177.588 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' HD12 ' A' ' 2' ' ' ILE . 58.3 m-85 -83.25 -19.44 36.39 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.203 -1.777 . . . . 25.0 106.203 174.711 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -82.78 123.65 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 122.104 -0.372 . . . . 25.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 C--O 1.196 -1.744 0 CA-C-O 122.826 1.298 . . . . 25.0 112.012 -172.726 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 119.909 3.3 . . . . 25.0 119.909 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.69 119.73 55.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.704 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.933 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -119.25 10.73 12.09 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.69 -1.141 . . . . 25.0 108.374 -177.401 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 61.44 -179.29 0.12 Allowed 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.999 -1.455 . . . . 25.0 108.122 -167.288 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 35' ' ' HIS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 7' ' ' CYS . 90.7 m-70 -92.0 -56.43 3.08 Favored 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 119.87 -0.732 . . . . 25.0 112.309 -178.182 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.01 149.46 0.05 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.84 1.256 . . . . 25.0 110.695 -173.416 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.37 43.02 0.45 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.444 -1.687 . . . . 25.0 106.444 -176.014 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.58 -161.58 21.42 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 107.162 -2.375 . . . . 25.0 107.162 -176.356 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -56.25 -19.31 13.46 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 170.316 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -54.92 -27.78 45.78 Favored 'General case' 0 CA--C 1.589 2.478 0 C-N-CA 123.621 0.769 . . . . 25.0 111.076 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.3 tp -68.87 -50.35 50.55 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -67.59 -30.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.004 -1.078 . . . . 25.0 108.19 177.298 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.25 -40.75 97.22 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.175 -1.578 . . . . 25.0 109.119 178.633 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.48 -41.09 85.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 123.353 1.549 . . . . 25.0 111.023 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -37.2 81.39 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.088 -1.415 . . . . 25.0 112.697 178.243 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.68 -46.98 73.88 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.122 0.487 . . . . 25.0 112.238 173.711 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.0 -33.37 75.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.156 -0.449 . . . . 25.0 111.937 -175.128 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 12.5 p -82.05 -31.46 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 C-N-CA 119.889 -0.725 . . . . 25.0 110.986 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.26 -24.23 54.48 Favored 'General case' 0 C--O 1.192 -1.953 0 C-N-CA 119.756 -0.777 . . . . 25.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.49 -70.9 3.06 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-O 119.642 -0.532 . . . . 25.0 113.945 -179.279 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.19 4.9 0.18 Allowed 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -175.2 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -87.34 7.92 26.67 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.199 -0.938 . . . . 25.0 112.147 -175.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.16 160.79 32.92 Favored Glycine 0 C--O 1.198 -2.11 0 CA-C-O 118.411 -1.216 . . . . 25.0 112.301 177.792 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.488 1.472 0 C-N-CA 127.519 2.328 . . . . 25.0 112.075 177.953 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.72 0 CA-C-O 120.219 -0.211 . . . . 25.0 113.461 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -46.29 -54.87 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.951 0 N-CA-C 115.954 1.835 . . . . 25.0 115.954 -177.69 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.92 -32.24 33.16 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 O-C-N 119.661 -1.899 . . . . 25.0 109.841 -175.84 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.64 -48.51 81.37 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 106.053 -1.832 . . . . 25.0 106.053 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -66.52 -46.47 76.08 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 121.438 -0.789 . . . . 25.0 111.621 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -72.66 -18.43 61.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 118.268 -1.373 . . . . 25.0 113.588 -174.507 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.29 -25.57 36.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 173.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -102.21 -22.26 14.21 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.615 1.339 . . . . 25.0 114.615 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -136.54 162.76 32.2 Favored 'General case' 0 C--O 1.196 -1.718 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 173.379 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -86.43 128.32 39.58 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 120.698 -1.251 . . . . 25.0 110.929 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.96 108.96 21.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 172.862 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -82.09 168.47 17.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -48.66 -45.11 38.26 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.06 -38.24 65.03 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 177.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.17 -41.33 25.51 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.178 -0.951 . . . . 25.0 112.053 176.342 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 tp -59.68 -43.78 93.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 122.48 1.133 . . . . 25.0 111.849 -175.095 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -52.83 -33.75 50.79 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 114.707 -1.133 . . . . 25.0 112.389 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -69.89 -17.88 63.38 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.97 -1.081 . . . . 25.0 112.373 -174.601 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -78.78 -12.27 60.02 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.1 m -111.5 40.16 2.17 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.312 -1.024 0 CA-C-O 127.04 3.305 . . . . 25.0 111.511 175.013 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 C--O 1.186 -2.272 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.08 129.24 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 124.524 2.107 . . . . 25.0 110.798 -178.571 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.42 118.72 21.57 Favored 'General case' 0 C--O 1.258 1.505 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 178.809 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -155.95 171.28 20.35 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.65 132.66 40.73 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.862 -1.532 . . . . 25.0 106.862 172.832 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.04 121.03 40.17 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -176.856 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 75.6 m -138.76 159.53 41.88 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 112.676 -2.056 . . . . 25.0 110.289 -172.811 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.2 -138.76 21.32 Favored Glycine 0 C--N 1.312 -0.798 0 CA-C-O 123.924 1.847 . . . . 25.0 113.345 -175.786 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -65.8 -32.1 73.43 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.095 -1.238 . . . . 25.0 111.35 -175.012 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -60.68 -31.62 70.87 Favored 'General case' 0 C--O 1.193 -1.907 0 CA-C-N 119.251 0.932 . . . . 25.0 111.027 -176.023 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 41' ' ' LEU . 5.3 tt -66.54 -48.16 70.57 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 179.188 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.91 -37.69 79.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.267 -0.896 . . . . 25.0 110.179 -175.116 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.41 -37.2 84.69 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.467 175.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.93 74.09 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 120.498 -1.376 . . . . 25.0 111.397 173.499 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.1 -35.86 81.64 Favored 'General case' 0 CA--C 1.559 1.29 0 O-C-N 124.582 1.176 . . . . 25.0 112.143 174.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.23 -42.99 87.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.917 0.865 . . . . 25.0 112.001 173.921 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.54 -39.87 92.64 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.601 -1.312 . . . . 25.0 111.925 177.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.34 -28.04 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 CA-C-O 116.226 -1.845 . . . . 25.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -33.56 58.56 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 124.686 1.242 . . . . 25.0 110.918 -178.626 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.41 -103.29 2.8 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 104.448 -3.461 . . . . 25.0 104.448 -168.461 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.41 175.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.065 1.876 . . . . 25.0 116.065 -179.167 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.19 -27.06 13.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.651 -1.159 . . . . 25.0 109.597 178.031 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.25 1.45 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -177.384 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.478 0.951 0 CA-C-N 119.565 1.682 . . . . 25.0 107.443 -177.987 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.971 0 CA-C-O 126.582 3.323 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 19' ' ' TYR . 17.7 tt -62.72 -31.43 52.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 O-C-N 118.823 -2.575 . . . . 25.0 111.85 -172.548 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.28 -52.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.111 -0.993 . . . . 25.0 109.951 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -65.15 -25.96 67.97 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 119.446 -0.902 . . . . 25.0 108.873 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.87 -66.19 0.58 Allowed 'General case' 0 C--O 1.204 -1.296 0 O-C-N 123.899 0.75 . . . . 25.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.19 -22.66 65.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.341 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.45 -38.05 74.43 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 119.21 0.914 . . . . 25.0 109.668 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -97.18 -52.06 3.97 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 123.994 0.809 . . . . 25.0 111.997 -177.078 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.4 m -95.13 113.39 25.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.011 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.39 122.32 7.92 Favored 'Isoleucine or valine' 0 C--O 1.261 1.681 0 CA-C-O 121.51 0.672 . . . . 25.0 110.114 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.22 159.7 15.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 174.795 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -132.03 164.17 26.81 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 -172.128 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HB2' ' CG ' ' B' ' 31' ' ' PHE . 47.2 tp -52.66 -42.57 64.83 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 117.573 -1.203 . . . . 25.0 111.474 -173.113 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.73 -46.52 74.25 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 118.609 0.64 . . . . 25.0 110.775 -178.952 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -74.88 -40.23 61.06 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 121.092 -1.005 . . . . 25.0 111.596 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.29 -42.06 90.4 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -175.836 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.7 -32.43 70.5 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -64.58 -16.02 61.99 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 121.076 -1.015 . . . . 25.0 112.606 -176.637 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 2' ' ' ILE . 72.0 m-85 -78.93 -19.64 51.29 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 25.0 112.121 177.343 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.17 28.47 5.26 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.366 -1.288 . . . . 25.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 C--N 1.394 2.501 0 CA-C-O 127.075 3.321 . . . . 25.0 112.884 174.3 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.407 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 33.6 t80 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.714 0.769 . . . . 25.0 112.536 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.8 116.83 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.547 178.935 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -81.0 100.7 9.1 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.363 -1.347 . . . . 25.0 107.363 -178.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -136.41 165.09 26.62 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.15 -1.594 . . . . 25.0 109.422 -178.423 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.57 67.84 1.56 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.483 1.29 . . . . 25.0 114.483 173.87 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.36 125.83 27.9 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 177.192 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -146.8 161.63 40.26 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 103.814 -2.662 . . . . 25.0 103.814 -171.026 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.96 -150.93 50.97 Favored Glycine 0 C--O 1.255 1.466 0 O-C-N 120.536 -1.352 . . . . 25.0 115.925 -178.547 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.4 p -59.86 -34.14 72.73 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.521 1.128 . . . . 25.0 112.674 174.467 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -58.15 -44.63 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 25.0 110.351 -178.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.22 -50.43 73.6 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.74 -23.01 17.54 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.396 -0.922 . . . . 25.0 110.772 -176.205 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -75.17 -36.92 61.45 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 177.85 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.8 -44.02 86.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.432 1.11 . . . . 25.0 109.739 177.2 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.44 -37.14 86.48 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.876 -1.511 . . . . 25.0 110.586 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.57 -46.31 90.43 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.49 -1.381 . . . . 25.0 114.232 173.811 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.23 -38.81 92.63 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.447 1.092 . . . . 25.0 112.066 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.58 -37.59 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 N-CA-C 114.98 1.474 . . . . 25.0 114.98 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -165.42 71.65 0.17 Allowed 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.106 -0.997 . . . . 25.0 109.897 175.698 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.07 -88.66 0.06 OUTLIER Glycine 0 CA--C 1.554 2.512 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 179.663 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 51.52 17.29 0.54 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 118.462 2.764 . . . . 25.0 118.462 175.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -125.96 -7.71 6.63 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 116.723 2.12 . . . . 25.0 116.723 -177.262 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.45 39.17 4.81 Favored Glycine 0 C--O 1.217 -0.922 0 C-N-CA 120.392 -0.908 . . . . 25.0 111.691 177.102 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.489 1.479 0 CA-C-N 117.998 0.899 . . . . 25.0 112.544 178.314 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 N-CA-C 115.331 0.892 . . . . 25.0 115.331 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.5 tt -67.41 -27.13 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.414 -1.639 . . . . 25.0 112.751 -178.885 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.37 -44.54 80.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 -177.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.25 -29.54 61.73 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 123.881 0.738 . . . . 25.0 112.135 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -65.1 -43.75 91.06 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.59 -55.91 5.21 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 117.81 -1.556 . . . . 25.0 109.07 -178.529 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -54.23 -46.11 72.47 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.233 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -71.61 145.63 48.87 Favored 'General case' 0 C--O 1.181 -2.525 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -173.807 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 50.32 -134.4 1.52 Allowed 'General case' 0 C--O 1.265 1.871 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.218 -173.772 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.99 127.77 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.895 0 C-N-CA 122.956 0.502 . . . . 25.0 111.78 -173.098 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.19 142.16 31.39 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 123.755 0.822 . . . . 25.0 110.507 174.389 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -120.68 158.44 27.44 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.68 -26.34 67.97 Favored 'General case' 0 N--CA 1.424 -1.737 0 O-C-N 124.185 0.928 . . . . 25.0 112.712 177.023 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.51 -47.56 66.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.464 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.57 -40.34 91.31 Favored 'General case' 0 C--O 1.184 -2.357 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.24 174.787 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -47.27 83.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 121.517 -0.74 . . . . 25.0 112.762 -175.8 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.17 -25.87 67.15 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 124.477 1.11 . . . . 25.0 109.238 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.15 -10.48 59.42 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.356 -0.84 . . . . 25.0 111.147 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.1 -17.96 61.95 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-O 121.674 0.749 . . . . 25.0 109.233 170.696 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.95 58.59 0.85 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.217 -0.902 . . . . 25.0 110.946 173.046 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.499 2.013 0 O-C-N 125.93 2.019 . . . . 25.0 114.762 176.78 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 123.667 1.699 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.3 137.83 55.87 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 179.334 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -85.48 123.05 30.48 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.027 175.236 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.02 176.81 8.51 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 124.889 1.276 . . . . 25.0 111.225 -171.786 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.2 54.93 1.13 Allowed 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 118.332 0.515 . . . . 25.0 111.623 175.076 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.14 120.65 19.06 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 -175.572 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 t -156.09 172.95 17.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.115 -2.18 . . . . 25.0 105.115 175.479 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.71 -135.15 47.04 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-O 122.568 1.093 . . . . 25.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 86.1 p -62.1 -34.06 75.62 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 113.132 -1.534 . . . . 25.0 112.312 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -72.2 -28.23 63.06 Favored 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.657 -175.045 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.5 -51.67 58.33 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.835 -1.078 . . . . 25.0 110.705 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -34.71 71.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 124.01 0.819 . . . . 25.0 111.4 177.849 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.9 -48.13 83.22 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.88 0.764 . . . . 25.0 111.345 177.732 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.21 91.08 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.793 178.079 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.21 -42.4 93.54 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 178.807 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -62.06 -41.01 97.7 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 121.85 -0.531 . . . . 25.0 110.262 175.614 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.64 -35.66 79.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 117.851 -1.071 . . . . 25.0 109.402 -177.657 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.89 -29.56 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -115.41 -31.71 5.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.182 1.549 . . . . 25.0 115.182 -171.391 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.83 -82.51 1.2 Allowed Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.465 1.346 . . . . 25.0 116.465 175.162 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 57.45 -159.88 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.83 1.652 . . . . 25.0 112.09 -176.517 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -79.33 2.88 19.89 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.839 1.304 . . . . 25.0 110.092 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.35 160.32 35.83 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 114.351 -1.295 . . . . 25.0 110.92 -172.666 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.347 0.478 0 O-C-N 121.166 -1.196 . . . . 25.0 112.079 -177.877 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.314 0 CA-C-O 124.983 2.435 . . . . 25.0 117.341 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -56.92 -40.82 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 111.881 -2.16 . . . . 25.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.73 -52.0 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -48.92 62.51 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.447 176.466 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -62.6 -55.08 30.42 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.726 0.694 . . . . 25.0 111.948 -179.145 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -76.32 -16.84 59.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.614 1.338 . . . . 25.0 114.614 -176.316 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -86.43 -41.57 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 119.564 1.074 . . . . 25.0 111.565 178.418 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -79.2 -17.76 54.26 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -175.518 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -144.31 155.03 43.64 Favored 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.498 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.72 119.14 28.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -176.289 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.19 157.88 16.57 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.885 -1.507 . . . . 25.0 108.765 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -130.65 176.15 8.42 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 -175.339 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.12 -31.91 65.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.521 -1.362 . . . . 25.0 112.587 -176.275 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.03 -48.25 73.67 Favored 'General case' 0 CA--C 1.487 -1.466 0 C-N-CA 122.288 0.235 . . . . 25.0 111.426 177.628 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -76.57 -42.82 41.3 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 119.509 -0.877 . . . . 25.0 110.816 175.545 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.08 -35.23 78.04 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -169.798 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.49 -20.59 64.74 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 118.26 -0.876 . . . . 25.0 111.783 174.846 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.57 -22.87 66.73 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 120.645 1.566 . . . . 25.0 110.564 177.826 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -79.98 -9.86 59.72 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-O 122.723 1.249 . . . . 25.0 112.768 179.591 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -116.47 43.54 2.19 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-N 113.817 -1.538 . . . . 25.0 109.561 175.478 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 C--O 1.198 -1.633 0 CA-C-O 125.27 2.462 . . . . 25.0 112.044 175.254 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 t80 . . . . . 0 C--O 1.191 -2.017 0 CA-C-O 123.455 1.598 . . . . 25.0 113.48 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -127.19 131.46 70.64 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.483 -1.386 . . . . 25.0 114.546 173.809 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -84.78 107.52 16.99 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-N 114.771 -1.104 . . . . 25.0 112.584 -179.077 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -155.12 172.04 18.79 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 104.982 -2.229 . . . . 25.0 104.982 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -76.4 143.92 40.34 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.087 0.858 . . . . 25.0 111.786 177.235 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -125.42 92.11 3.55 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -172.846 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -97.48 -54.95 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -174.78 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.47 -90.94 0.53 Allowed Glycine 0 C--N 1.345 1.059 0 CA-C-N 113.01 -1.905 . . . . 25.0 111.126 -175.154 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.3 91.44 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 -178.668 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -59.29 -39.22 82.29 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 122.61 0.364 . . . . 25.0 110.253 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.64 -54.85 37.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.067 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.428 HG13 ' CE1' ' B' ' 54' ' ' PHE . 63.8 t -58.36 -44.13 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.452 0 CA-C-O 120.724 0.297 . . . . 25.0 111.263 -179.239 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.11 -52.26 66.11 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 124.975 1.422 . . . . 25.0 111.299 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.78 79.16 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 -173.717 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.24 -40.71 86.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.877 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -66.59 -37.03 84.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 123.704 0.628 . . . . 25.0 110.199 176.705 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -69.97 -30.03 67.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.323 0.51 . . . . 25.0 110.139 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.77 -50.55 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-O 121.255 0.55 . . . . 25.0 112.0 179.544 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 12.71 3.14 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 114.44 1.274 . . . . 25.0 114.44 -168.491 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.71 -58.51 10.13 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 117.037 1.575 . . . . 25.0 117.037 -167.557 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.24 -134.49 1.21 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-O 117.849 -1.072 . . . . 25.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.38 -0.23 55.01 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.556 1.169 . . . . 25.0 111.206 175.627 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.57 -27.28 67.77 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 119.234 2.454 . . . . 25.0 119.234 -174.238 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.428 ' CE1' HG13 ' B' ' 42' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.802 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.887 0 CA-C-O 126.053 3.03 . . . . 25.0 114.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 19' ' ' TYR . 13.4 tt -59.42 -33.6 51.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 112.44 -1.88 . . . . 25.0 113.761 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.13 -52.0 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.68 -35.96 82.72 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -61.29 -55.7 28.85 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -44.04 90.61 Favored 'General case' 0 CA--C 1.563 1.469 0 O-C-N 122.044 -0.41 . . . . 25.0 111.507 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.76 -14.26 20.2 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.189 -0.91 . . . . 25.0 113.407 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.3 p -116.61 -20.68 9.48 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -136.27 121.18 18.71 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.428 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mm -56.25 123.78 8.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.0 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.3 112.12 17.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 124.389 1.056 . . . . 25.0 113.075 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 146.79 50.7 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.22 -38.37 68.35 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -57.18 -41.37 79.16 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.372 -0.83 . . . . 25.0 110.108 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -76.28 -42.05 46.82 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 121.479 0.657 . . . . 25.0 111.182 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.79 -38.61 91.72 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.85 -31.98 71.4 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.58 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.26 -19.71 65.57 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.162 -1.015 . . . . 25.0 112.828 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 2' ' ' ILE . 70.5 m-85 -79.18 -20.31 48.74 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 121.354 -0.841 . . . . 25.0 112.416 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -157.12 118.18 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 123.102 1.429 . . . . 25.0 110.71 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--O 1.198 -1.619 0 CA-C-O 123.718 1.723 . . . . 25.0 112.47 178.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 CA--C 1.461 -2.473 0 CA-C-O 122.254 1.026 . . . . 25.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -89.82 128.99 41.46 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 CA-C-O 124.033 1.873 . . . . 25.0 106.129 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.94 102.77 8.46 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.201 -1.818 . . . . 25.0 106.41 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -132.73 169.6 16.46 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -74.4 -27.15 60.5 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt 45.22 86.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 175.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -92.85 154.89 17.97 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.479 -0.763 . . . . 25.0 112.313 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.97 -131.19 48.49 Favored Glycine 0 CA--C 1.548 2.098 0 N-CA-C 115.772 1.069 . . . . 25.0 115.772 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.8 m -66.25 -31.26 71.96 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 123.946 0.898 . . . . 25.0 111.735 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -58.29 -35.48 71.87 Favored 'General case' 0 C--O 1.208 -1.081 0 O-C-N 121.424 -0.797 . . . . 25.0 110.918 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.01 -48.3 74.41 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.612 0.968 . . . . 25.0 113.612 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.22 -28.55 23.31 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.747 0 O-C-N 120.432 -1.418 . . . . 25.0 110.191 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.09 -46.09 68.63 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 117.241 -1.361 . . . . 25.0 108.059 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.01 86.08 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.664 1.12 . . . . 25.0 109.576 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.57 -36.16 80.4 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-O 121.284 0.564 . . . . 25.0 110.351 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.15 -40.64 90.74 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.061 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.73 -43.49 96.33 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.019 0.824 . . . . 25.0 109.592 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.21 -31.16 11.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -79.79 -38.39 33.15 Favored 'General case' 0 C--O 1.195 -1.789 0 O-C-N 121.067 -1.021 . . . . 25.0 108.436 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.48 90.93 0.36 Allowed Glycine 0 N--CA 1.423 -2.181 0 CA-C-O 121.231 0.351 . . . . 25.0 112.495 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.48 167.64 0.17 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 174.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 56.93 47.09 18.4 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 114.516 -1.22 . . . . 25.0 112.162 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 127.48 1.64 Allowed Glycine 0 CA--C 1.497 -1.06 0 N-CA-C 107.492 -2.243 . . . . 25.0 107.492 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 68.78 123.66 0.03 OUTLIER 'General case' 0 C--N 1.353 0.719 0 O-C-N 125.767 1.51 . . . . 25.0 111.336 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -140.76 68.75 1.34 Allowed 'General case' 0 C--O 1.187 -2.22 0 O-C-N 120.623 -1.298 . . . . 25.0 110.161 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -147.77 137.67 22.73 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -141.75 136.48 15.38 Favored Pre-proline 0 C--O 1.253 1.275 0 CA-C-N 114.142 -1.39 . . . . 25.0 108.46 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -77.02 156.93 34.34 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 118.053 -0.832 . . . . 25.0 112.618 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -138.89 33.61 2.18 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 123.925 1.821 . . . . 25.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.236 0 CA-C-O 123.746 1.736 . . . . 25.0 110.131 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 125.024 2.458 . . . . 25.0 113.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -52.65 -44.04 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 112.646 -1.777 . . . . 25.0 111.216 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.33 -52.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.876 -0.515 . . . . 25.0 111.226 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.88 -26.49 64.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.45 -0.5 . . . . 25.0 112.114 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -73.63 -39.46 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.595 -0.442 . . . . 25.0 111.199 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -32.27 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -176.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.1 m -72.19 -1.86 16.63 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 p -107.9 -5.94 16.92 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.312 0.486 . . . . 25.0 112.312 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -150.64 -170.01 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 -174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.69 138.12 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.2 m -103.73 151.52 22.92 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.98 151.16 49.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.788 0.435 . . . . 25.0 110.839 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -58.09 -36.33 72.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 25.0 112.141 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.48 -39.36 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.438 0.637 . . . . 25.0 111.378 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -87.7 -36.78 17.2 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.98 -0.45 . . . . 25.0 110.349 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.4 -38.66 71.82 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.038 0.447 . . . . 25.0 111.174 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -60.88 -24.97 66.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.35 -28.23 68.5 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.99 2.75 48.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.99 0.424 . . . . 25.0 111.327 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.93 10.49 32.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 122.349 1.071 . . . . 25.0 109.549 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 p30 . . . . . 0 C--O 1.216 -0.68 0 CA-C-O 123.725 1.726 . . . . 25.0 111.737 177.274 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.69 146.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.24 123.4 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -145.89 154.52 42.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.198 -168.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -74.6 120.69 20.5 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.21 120.54 33.47 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 48.6 t -155.26 157.31 37.07 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.94 -145.23 49.16 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 111.159 -0.777 . . . . 25.0 111.159 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p -58.55 -29.82 66.64 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 122.628 -0.336 . . . . 25.0 111.866 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.76 -32.49 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.09 -47.67 60.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.75 -39.13 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.201 0.524 . . . . 25.0 110.166 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.42 -40.41 85.53 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.917 -0.489 . . . . 25.0 111.638 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.99 91.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.58 -41.09 96.5 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.55 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -60.34 -45.21 94.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.873 0.368 . . . . 25.0 111.272 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.33 -35.08 75.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.875 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.0 -30.44 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.336 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.25 -44.36 25.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.649 -0.657 . . . . 25.0 110.66 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.48 5.13 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 116.14 1.216 . . . . 25.0 116.14 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.49 -0.17 28.41 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 50.95 33.03 8.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 116.871 2.174 . . . . 25.0 116.871 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.59 27.8 15.46 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 115.419 0.928 . . . . 25.0 115.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.39 -23.12 30.22 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.902 2.186 . . . . 25.0 116.902 -171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.25 112.91 8.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -146.78 143.24 28.51 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.63 152.74 53.57 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 104.356 -2.461 . . . . 25.0 104.356 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.17 142.73 42.46 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 116.131 -2.113 . . . . 25.0 109.798 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -125.93 73.99 1.39 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 121.074 0.464 . . . . 25.0 111.962 -176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.201 -1.451 0 CA-C-O 123.796 1.76 . . . . 25.0 112.279 179.028 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.71 0 CA-C-O 124.807 2.337 . . . . 25.0 112.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -45.85 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 112.452 -1.874 . . . . 25.0 111.736 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.71 -48.74 74.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 122.057 -0.402 . . . . 25.0 111.283 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.91 -35.17 79.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.994 -0.682 . . . . 25.0 110.053 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -61.16 -51.21 70.02 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 110.62 -0.141 . . . . 25.0 110.62 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -72.85 -26.46 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.03 -48.06 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.793 -0.567 . . . . 25.0 112.294 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.5 p -84.15 -38.5 20.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 25.0 112.206 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -113.21 168.77 9.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -88.71 116.62 30.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -93.74 122.84 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -71.6 156.39 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.47 -0.787 . . . . 25.0 109.764 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.42 -28.69 65.48 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 111.519 0.192 . . . . 25.0 111.519 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -64.21 -40.97 97.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.36 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -72.18 -39.91 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.885 0.374 . . . . 25.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.18 -26.43 67.71 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -70.82 -16.32 62.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.356 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -87.05 -5.83 58.92 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.607 0.241 . . . . 25.0 111.188 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.18 97.1 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 125.522 1.529 . . . . 25.0 112.79 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 122.63 1.205 . . . . 25.0 113.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.5 t -117.9 119.28 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.522 -0.736 . . . . 25.0 109.587 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -75.04 106.16 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.55 172.17 14.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 -174.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -80.07 139.68 36.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.651 -1.24 . . . . 25.0 107.651 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.7 121.65 25.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.981 0.42 . . . . 25.0 110.481 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -126.99 -159.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.44 135.03 1.67 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m 65.04 -49.55 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -63.92 -40.13 95.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.676 -0.64 . . . . 25.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -65.3 -43.37 91.29 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.493 -0.321 . . . . 25.0 110.5 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.33 -43.84 98.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -66.49 -43.51 85.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.694 0.283 . . . . 25.0 110.946 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.03 97.2 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -35.15 79.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.903 0.335 . . . . 25.0 111.903 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.8 -45.34 93.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.77 -37.26 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.36 -42.26 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.095 0.474 . . . . 25.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -40.94 24.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.72 -74.06 0.46 Allowed Glycine 0 C--O 1.221 -0.66 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.38 -34.69 68.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -168.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.26 24.49 1.6 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.84 110.67 3.7 Favored Glycine 0 C--O 1.216 -1.011 0 CA-C-O 118.927 -0.929 . . . . 25.0 111.843 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 67.45 130.81 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -109.64 36.28 3.03 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.353 -0.839 . . . . 25.0 112.414 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.1 t80 56.56 116.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 118.023 2.601 . . . . 25.0 118.023 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.6 108.52 15.84 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.541 -0.724 . . . . 25.0 110.408 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.29 149.26 21.76 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 117.222 -1.385 . . . . 25.0 112.57 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -83.45 90.0 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.208 -1.109 0 CA-C-O 122.53 1.157 . . . . 25.0 112.607 179.456 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.984 0 CA-C-O 123.696 1.72 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.408 HD12 ' CD2' ' A' ' 19' ' ' TYR . 12.3 tt -57.42 -32.98 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 119.302 -2.293 . . . . 25.0 112.1 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.41 -46.98 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.195 -0.602 . . . . 25.0 112.029 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.53 -33.63 76.38 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -66.22 -52.53 46.97 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.83 -0.544 . . . . 25.0 110.294 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.1 m -68.41 -21.98 64.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -87.49 -43.43 12.05 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 120.873 -1.142 . . . . 25.0 113.913 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -80.45 -27.73 37.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 25.0 112.364 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -124.92 164.91 19.07 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -83.56 124.22 39.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.42 113.28 26.24 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.954 0.883 . . . . 25.0 109.822 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -76.4 157.6 32.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.598 -0.728 . . . . 25.0 111.436 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.64 -36.91 72.47 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -55.57 -46.98 77.12 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 122.359 1.076 . . . . 25.0 112.57 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -76.21 -36.65 58.5 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.827 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' CE2' ' B' ' 31' ' ' PHE . 1.0 OUTLIER -61.85 -35.93 79.73 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 122.037 -0.414 . . . . 25.0 110.03 -177.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -61.56 -26.48 67.98 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.322 -0.861 . . . . 25.0 111.597 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -18.96 64.04 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.134 -0.627 . . . . 25.0 112.307 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 2' ' ' ILE . 96.6 m-85 -81.26 -17.03 50.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.994 -0.441 . . . . 25.0 109.981 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -86.76 -12.74 47.26 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 126.08 2.848 . . . . 25.0 113.713 179.369 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD22 ' A' ' 16' ' ' LEU . 26.8 t80 . . . . . 0 C--O 1.194 -1.85 0 CA-C-O 123.389 1.566 . . . . 25.0 112.83 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.78 145.12 21.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 105.905 -1.887 . . . . 25.0 105.905 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -76.43 99.32 4.84 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 122.763 1.268 . . . . 25.0 111.961 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -133.91 175.7 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.388 -1.278 . . . . 25.0 108.346 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -77.71 111.52 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 mt -97.98 124.77 42.6 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 106.392 -1.707 . . . . 25.0 106.392 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.7 m -136.28 160.46 38.63 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 123.554 0.534 . . . . 25.0 111.151 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.13 -143.5 37.32 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.778 -0.646 . . . . 25.0 113.205 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -32.65 70.76 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.36 -33.12 73.12 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.046 -0.409 . . . . 25.0 110.579 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.92 -59.72 3.27 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.46 -31.7 53.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.924 -0.71 . . . . 25.0 110.563 -174.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -71.79 -35.78 70.11 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -41.1 88.94 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 120.905 0.383 . . . . 25.0 110.164 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.99 -42.5 97.19 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.146 -0.934 . . . . 25.0 108.698 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.985 0.422 . . . . 25.0 111.823 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.05 -41.55 98.26 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.946 -0.471 . . . . 25.0 111.852 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.75 -30.57 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -37.0 78.63 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.648 -0.657 . . . . 25.0 111.874 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.1 33.17 86.53 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.569 -1.013 . . . . 25.0 110.569 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -125.18 146.1 49.66 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.128 -0.631 . . . . 25.0 110.667 -174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -75.22 40.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.54 175.69 28.16 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.471 -0.786 . . . . 25.0 114.598 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 64.28 125.38 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -75.96 108.44 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 25.0 110.345 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -154.47 117.85 4.55 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.27 0.557 . . . . 25.0 111.028 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.67 95.89 7.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-O 121.793 0.806 . . . . 25.0 109.1 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.35 152.09 34.29 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 117.257 -1.362 . . . . 25.0 112.393 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.48 -26.68 7.83 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.571 0.701 . . . . 25.0 111.586 174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.094 1.902 . . . . 25.0 112.55 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.731 0 CA-C-O 123.582 1.657 . . . . 25.0 114.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -47.88 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.589 1.556 . . . . 25.0 111.862 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.25 -46.02 91.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 110.066 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.25 -42.71 99.09 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 123.253 0.346 . . . . 25.0 110.66 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.38 -50.04 69.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.53 0.519 . . . . 25.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -25.58 61.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -20.07 62.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.746 -0.382 . . . . 25.0 110.98 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 p -117.67 -22.9 7.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -107.73 165.02 11.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.91 123.58 36.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.55 -0.719 . . . . 25.0 109.573 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -79.03 154.09 29.73 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 p -149.78 151.4 33.51 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 107.405 -1.332 . . . . 25.0 107.405 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.23 -38.41 86.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.823 0.821 . . . . 25.0 110.722 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.42 -46.18 83.8 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.861 -0.608 . . . . 25.0 111.26 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.61 -38.86 67.67 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.517 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -28.92 69.65 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.77 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.795 -1.19 . . . . 25.0 110.587 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -68.94 -14.85 63.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -97.94 12.59 33.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.3 t -59.4 -30.69 68.62 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.682 0.754 . . . . 25.0 110.947 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 124.747 2.213 . . . . 25.0 111.839 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 123.195 1.474 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.78 114.19 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -79.65 90.53 5.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -148.28 179.6 7.65 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -76.14 78.86 2.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.7 134.92 49.2 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 t -152.96 167.96 27.42 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 105.243 -2.132 . . . . 25.0 105.243 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.28 -148.64 50.35 Favored Glycine 0 C--N 1.31 -0.871 0 C-N-CA 120.477 -0.868 . . . . 25.0 113.497 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -61.13 -32.21 71.91 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.671 0.748 . . . . 25.0 112.882 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -65.38 -32.83 74.67 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.1 -50.88 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.22 -30.02 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 120.544 -0.462 . . . . 25.0 110.536 -176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -48.24 75.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.37 96.86 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.15 0.976 . . . . 25.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.47 -38.73 90.68 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 121.772 -0.58 . . . . 25.0 110.713 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' B' ' 51' ' ' GLU . 31.4 t80 -57.55 -52.77 64.07 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 175.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.32 -34.15 76.06 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.473 1.108 . . . . 25.0 113.051 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.15 -46.05 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 120.699 -0.4 . . . . 25.0 110.148 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -7.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.998 2.221 . . . . 25.0 116.998 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.71 38.2 3.21 Favored Glycine 0 C--N 1.308 -1.025 0 O-C-N 121.241 -0.912 . . . . 25.0 115.162 -161.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HA ' ' CE2' ' B' ' 46' ' ' TYR . 22.3 mt-10 -61.76 -38.62 88.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 118.026 0.913 . . . . 25.0 111.549 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -88.28 -2.23 58.48 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.671 -0.643 . . . . 25.0 110.684 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.09 -29.02 10.79 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 116.043 -0.526 . . . . 25.0 113.361 -175.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -134.75 103.63 5.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.179 0.99 . . . . 25.0 111.43 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -73.54 136.87 44.1 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 124.425 1.078 . . . . 25.0 108.673 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -149.79 141.98 24.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.91 89.61 48.33 Favored Pre-proline 0 C--N 1.347 0.462 0 CA-C-O 121.224 0.535 . . . . 25.0 109.647 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.86 105.73 1.86 Allowed 'Trans proline' 0 CA--C 1.518 -0.32 0 CA-C-O 121.828 0.678 . . . . 25.0 112.317 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -136.79 94.07 2.93 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.492 -0.755 . . . . 25.0 109.38 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.211 -0.951 0 CA-C-O 125.084 2.373 . . . . 25.0 110.971 178.341 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.065 0 N-CA-C 109.124 -1.59 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.48 -37.67 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 119.669 -2.077 . . . . 25.0 115.929 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.68 -46.41 92.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 C-N-CA 119.391 -0.924 . . . . 25.0 110.176 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.73 -43.11 98.29 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.4 -34.51 41.78 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 124.726 1.266 . . . . 25.0 111.491 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.96 -46.53 8.81 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 119.099 0.863 . . . . 25.0 112.983 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -63.56 -11.13 22.11 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p -90.22 6.46 42.71 Favored 'General case' 0 N--CA 1.437 -1.118 0 O-C-N 121.299 -0.876 . . . . 25.0 111.576 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -135.68 -178.98 5.37 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 125.207 1.403 . . . . 25.0 109.67 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.86 -33.49 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 121.103 -0.998 . . . . 25.0 111.829 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m 66.33 42.51 2.99 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 123.896 0.878 . . . . 25.0 110.492 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -62.2 159.95 13.88 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.41 -27.06 68.27 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.21 -46.67 65.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.379 -1.282 . . . . 25.0 109.03 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -80.48 -40.87 25.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.27 1.028 . . . . 25.0 110.429 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.22 -32.51 74.12 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -66.05 -25.43 67.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.584 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.71 -22.54 66.96 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.026 -1.046 . . . . 25.0 111.874 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -84.66 0.94 48.5 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.606 0.717 . . . . 25.0 110.592 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -98.88 -6.36 29.12 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 123.978 1.847 . . . . 25.0 113.284 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 m -124.52 149.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -102.03 109.39 21.09 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 107.007 -1.479 . . . . 25.0 107.007 -174.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.31 168.0 21.09 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 100.941 -3.725 . . . . 25.0 100.941 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -68.2 141.07 56.08 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.176 1.465 . . . . 25.0 111.337 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.4 123.99 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.914 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -147.4 170.86 16.47 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.94 -143.81 46.88 Favored Glycine 0 C--O 1.209 -1.434 0 C-N-CA 120.682 -0.77 . . . . 25.0 113.463 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.1 t -61.06 -32.24 71.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.601 -0.94 . . . . 25.0 112.74 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -63.23 -31.27 72.38 Favored 'General case' 0 C--O 1.181 -2.518 0 O-C-N 121.115 -0.99 . . . . 25.0 110.332 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -67.16 -44.94 78.47 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.906 -1.121 . . . . 25.0 111.093 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 m -82.17 -21.57 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.591 0 O-C-N 124.21 0.944 . . . . 25.0 109.813 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -66.58 -43.86 83.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.72 1.248 . . . . 25.0 108.967 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.29 64.46 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 119.721 -1.862 . . . . 25.0 109.293 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -41.03 93.15 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.954 0.883 . . . . 25.0 110.237 173.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.89 -41.13 91.92 Favored 'General case' 0 N--CA 1.414 -2.239 0 O-C-N 121.056 -1.027 . . . . 25.0 109.968 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.59 -40.46 92.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.53 0.566 . . . . 25.0 112.53 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.0 -34.11 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 9.75 1.29 Allowed 'General case' 0 C--O 1.279 2.615 0 N-CA-C 115.078 1.511 . . . . 25.0 115.078 -175.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.34 62.43 4.57 Favored Glycine 0 C--O 1.208 -1.525 0 C-N-CA 119.188 -1.482 . . . . 25.0 114.226 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.29 -27.83 68.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.83 1.252 . . . . 25.0 113.792 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -118.17 -16.94 9.69 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.342 0.591 . . . . 25.0 110.612 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.67 26.25 Favored Glycine 0 N--CA 1.436 -1.347 0 N-CA-C 109.092 -1.603 . . . . 25.0 109.092 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -100.24 -37.67 8.81 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 122.146 -0.62 . . . . 25.0 111.723 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -157.91 108.11 2.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.121 0.962 . . . . 25.0 112.499 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -154.23 135.69 14.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.817 -1.083 . . . . 25.0 109.33 169.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.1 m -104.76 106.34 54.49 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 115.089 -0.96 . . . . 25.0 109.109 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -74.31 162.13 39.05 Favored 'Trans proline' 0 C--O 1.211 -0.83 0 C-N-CA 116.032 -2.178 . . . . 25.0 111.955 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -138.47 21.38 2.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 124.121 1.915 . . . . 25.0 110.422 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.196 -1.751 0 CA-C-N 112.969 -1.923 . . . . 25.0 110.495 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 CA-C-O 124.899 2.388 . . . . 25.0 112.404 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -55.71 -32.74 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 112.628 -1.786 . . . . 25.0 112.814 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.88 -52.73 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.899 -0.501 . . . . 25.0 110.495 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -72.6 -24.52 61.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.948 0.404 . . . . 25.0 110.92 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -66.84 -39.85 87.77 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 122.229 -0.294 . . . . 25.0 110.857 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -28.95 15.23 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 115.173 1.546 . . . . 25.0 115.173 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -82.17 37.51 0.5 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.454 0.702 . . . . 25.0 112.105 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -125.91 -72.69 0.65 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -142.74 41.09 1.56 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt 68.33 107.6 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.991 1.317 . . . . 25.0 112.256 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.23 144.08 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.804 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.8 p -71.17 149.29 46.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.01 -35.75 75.74 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.833 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -56.86 -43.74 81.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.257 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -78.54 -37.96 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.917 0.389 . . . . 25.0 110.16 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.36 -39.47 83.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.822 0.344 . . . . 25.0 111.474 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.32 -20.9 66.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.83 -18.76 63.46 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.531 -0.731 . . . . 25.0 110.523 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -86.49 1.73 50.46 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.79 -11.66 61.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.899 0.856 . . . . 25.0 109.899 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 123.065 1.412 . . . . 25.0 114.802 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 123.536 1.636 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 m -98.3 55.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 122.981 1.372 . . . . 25.0 109.706 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.04 35.18 0.13 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 117.576 2.435 . . . . 25.0 117.576 -174.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 60.32 170.96 0.09 Allowed 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.74 91.96 8.79 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 84.8 mt -87.52 131.98 34.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.391 -0.822 . . . . 25.0 110.822 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 67.0 m -140.04 -71.59 0.38 Allowed 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.02 -143.63 3.73 Favored Glycine 0 N--CA 1.465 0.63 0 CA-C-N 116.388 -0.369 . . . . 25.0 113.312 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -56.09 -18.85 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.991 1.848 . . . . 25.0 115.991 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -30.95 71.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.577 -0.702 . . . . 25.0 110.292 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.05 -45.69 76.66 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -37.58 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 25.0 109.427 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.74 -43.83 92.09 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 120.364 0.126 . . . . 25.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.67 79.57 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.584 -0.697 . . . . 25.0 109.181 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.38 -32.07 71.98 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -72.7 -39.98 66.58 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.98 -31.24 72.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.708 -0.62 . . . . 25.0 110.805 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.51 -48.56 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 113.836 1.05 . . . . 25.0 113.836 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.7 m -112.07 -5.97 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -171.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.52 57.18 3.77 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 116.264 1.265 . . . . 25.0 116.264 -170.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.48 -61.84 2.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.036 0.418 . . . . 25.0 111.514 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -167.66 40.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.21 25.88 0.89 Allowed Glycine 0 C--O 1.212 -1.248 0 N-CA-C 117.279 1.671 . . . . 25.0 117.279 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -81.8 -17.95 45.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.448 1.124 . . . . 25.0 112.973 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.33 169.67 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -139.26 131.16 27.7 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.085 -1.821 . . . . 25.0 106.085 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.15 104.06 7.29 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 105.902 -1.888 . . . . 25.0 105.902 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.42 127.3 15.46 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.984 -2.21 . . . . 25.0 111.208 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -162.06 -171.93 3.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 103.86 -2.644 . . . . 25.0 103.86 -176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.203 -1.368 0 CA-C-O 123.873 1.797 . . . . 25.0 112.444 171.172 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.35 0 N-CA-C 115.433 0.933 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.55 -33.66 45.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.182 -1.187 . . . . 25.0 113.356 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.63 -54.24 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.496 -0.764 . . . . 25.0 110.656 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.75 -24.23 60.93 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.526 0.516 . . . . 25.0 112.01 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.81 -40.54 88.1 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.187 -0.321 . . . . 25.0 111.654 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.73 -35.94 10.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -85.96 53.88 2.94 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 122.236 1.017 . . . . 25.0 112.13 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.49 -54.96 0.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.549 -1.205 . . . . 25.0 108.554 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -125.7 18.02 8.04 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt 62.64 84.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.144 0.977 . . . . 25.0 111.924 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -64.75 136.34 56.82 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 121.602 0.715 . . . . 25.0 109.702 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -86.2 163.77 17.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 114.906 -1.043 . . . . 25.0 111.342 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.41 -28.1 58.37 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.53 -44.48 96.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.701 -1.222 . . . . 25.0 107.701 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.24 -40.92 62.08 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.774 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.76 -34.34 77.02 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.694 -0.629 . . . . 25.0 112.546 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -65.42 -21.72 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.762 -0.586 . . . . 25.0 111.518 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -65.91 -21.13 66.42 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.464 -0.772 . . . . 25.0 110.08 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.3 -0.04 57.16 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.52 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -100.45 100.61 11.4 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.077 -1.014 . . . . 25.0 109.013 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 124.381 2.039 . . . . 25.0 111.297 176.145 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 123.315 1.531 . . . . 25.0 114.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 107.05 18.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 O-C-N 120.159 -1.588 . . . . 25.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.98 100.64 2.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.057 -0.974 . . . . 25.0 112.993 173.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.03 175.74 7.51 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.47 102.98 9.07 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 121.598 0.713 . . . . 25.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.01 79.74 6.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 112.804 -1.998 . . . . 25.0 107.545 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 77.1 m -127.51 163.36 24.3 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.417 -2.438 . . . . 25.0 104.417 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.93 -142.25 47.49 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 119.267 -1.445 . . . . 25.0 110.175 172.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -65.89 -28.38 68.9 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.193 -1.181 . . . . 25.0 110.126 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -59.69 -32.17 70.25 Favored 'General case' 0 C--O 1.251 1.153 0 O-C-N 120.96 -1.088 . . . . 25.0 111.424 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.35 -52.5 58.02 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.131 0.967 . . . . 25.0 110.567 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.81 -21.52 14.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.891 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.46 -50.47 52.22 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-O 121.43 0.633 . . . . 25.0 109.642 174.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.17 96.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.015 -0.993 . . . . 25.0 110.68 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.73 -40.91 98.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.27 -43.6 94.31 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.597 0.713 . . . . 25.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.08 -36.23 83.35 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.774 -0.579 . . . . 25.0 112.301 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.7 p -87.19 -31.94 6.16 Favored 'Isoleucine or valine' 0 C--O 1.26 1.636 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.4 20.54 0.74 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 116.242 1.942 . . . . 25.0 116.242 -174.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.02 41.4 2.61 Favored Glycine 0 C--O 1.234 0.111 0 O-C-N 120.032 -1.668 . . . . 25.0 111.974 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.13 -38.02 87.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.586 0.754 . . . . 25.0 111.403 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -79.17 -28.44 42.72 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.717 0.77 . . . . 25.0 109.51 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.82 159.26 31.57 Favored Glycine 0 N--CA 1.434 -1.471 0 CA-C-N 113.807 -1.542 . . . . 25.0 111.116 -173.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.48 -10.8 42.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.835 1.421 . . . . 25.0 114.835 -177.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 48.15 41.61 15.92 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.885 0.874 . . . . 25.0 113.213 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -131.58 145.16 51.57 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 35.4 p -119.04 92.43 45.22 Favored Pre-proline 0 N--CA 1.485 1.276 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.26 151.44 38.39 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -140.95 119.35 12.22 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 173.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 175.879 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 N-CA-C 117.098 1.599 . . . . 25.0 117.098 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.9 tt -51.46 -41.93 27.59 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 125.475 1.338 . . . . 25.0 114.086 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.6 -56.13 12.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 O-C-N 121.674 -0.641 . . . . 25.0 110.784 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.5 -24.32 67.41 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 118.292 -0.861 . . . . 25.0 109.958 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -80.39 -42.44 22.82 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -74.63 -25.34 59.16 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.359 -1.337 . . . . 25.0 112.614 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -68.63 -18.1 64.24 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.628 -0.67 . . . . 25.0 111.27 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -117.06 10.8 14.04 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 114.925 -1.034 . . . . 25.0 112.718 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -142.49 -173.64 3.92 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 118.104 0.411 . . . . 25.0 111.396 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -89.59 -40.71 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 O-C-N 120.741 -1.225 . . . . 25.0 113.578 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.2 m 54.2 86.81 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.263 1.425 . . . . 25.0 112.299 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -65.51 167.11 9.31 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.746 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' B' ' 31' ' ' PHE . 49.3 tp -63.26 -32.26 73.62 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.381 -0.824 . . . . 25.0 111.799 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.31 1.053 . . . . 25.0 112.237 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -71.65 -44.68 63.87 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 114.947 -1.024 . . . . 25.0 110.495 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.01 -39.49 94.91 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.733 -1.187 . . . . 25.0 109.477 -173.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.19 -24.93 60.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.527 0.517 . . . . 25.0 111.059 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -71.74 -14.98 62.17 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.11 -0.994 . . . . 25.0 112.022 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 2' ' ' ILE . 54.9 m-85 -91.17 -7.77 50.53 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.315 0.646 . . . . 25.0 111.973 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 m -115.89 11.77 15.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.906 1.379 . . . . 25.0 111.354 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.6 t30 . . . . . 0 CA--C 1.585 2.3 0 CA-C-O 127.993 3.759 . . . . 25.0 110.821 -178.689 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 13' ' ' LEU . 55.9 t80 . . . . . 0 N--CA 1.519 3.019 0 CA-C-O 126.091 2.853 . . . . 25.0 113.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 31.1 m -117.82 135.79 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.638 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -102.34 125.11 48.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.682 -1.145 . . . . 25.0 109.452 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -161.43 175.44 12.18 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -68.41 136.11 52.79 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.74 123.3 40.2 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 t -139.87 -58.98 0.56 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 -128.96 4.24 Favored Glycine 0 C--O 1.2 -1.972 0 CA-C-N 118.816 0.734 . . . . 25.0 111.906 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -58.45 -35.12 71.64 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.583 -1.539 . . . . 25.0 113.383 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -55.66 -35.82 66.39 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.49 -55.69 10.91 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 124.874 1.359 . . . . 25.0 112.865 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.33 -32.47 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 O-C-N 122.017 -0.427 . . . . 25.0 110.162 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.65 -48.31 75.25 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 122.161 -0.337 . . . . 25.0 110.193 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.41 80.87 Favored 'General case' 0 C--O 1.195 -1.785 0 C-N-CA 118.176 -1.409 . . . . 25.0 107.875 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.48 -41.77 90.57 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -67.61 -43.07 81.31 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 124.421 1.075 . . . . 25.0 108.729 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.04 -45.26 82.06 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 119.035 -0.507 . . . . 25.0 110.94 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.79 -28.45 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 119.014 0.825 . . . . 25.0 111.969 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -39.69 68.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.85 72.89 Favored Glycine 0 C--O 1.218 -0.876 0 O-C-N 125.254 1.596 . . . . 25.0 112.381 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.07 150.02 20.71 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.493 1.139 . . . . 25.0 112.162 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -87.14 48.81 1.7 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.938 -1.028 . . . . 25.0 111.726 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.04 -130.92 2.64 Favored Glycine 0 C--O 1.254 1.357 0 N-CA-C 108.652 -1.779 . . . . 25.0 108.652 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 68.07 -20.67 0.13 Allowed 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 115.931 1.826 . . . . 25.0 115.931 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -98.63 157.99 15.9 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.695 1.236 . . . . 25.0 109.879 170.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -140.17 127.15 20.79 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.2 p -142.49 149.73 51.96 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 103.325 -2.843 . . . . 25.0 103.325 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.02 143.37 59.83 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 113.418 -3.921 . . . . 25.0 112.377 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -77.54 94.49 4.33 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.56 1.354 0 CA-C-O 125.751 2.691 . . . . 25.0 110.687 -176.361 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.951 0 N-CA-C 117.505 1.762 . . . . 25.0 117.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.536 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.8 tt -47.02 -45.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 O-C-N 118.979 -2.483 . . . . 25.0 115.913 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.12 -50.24 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 121.224 -0.922 . . . . 25.0 110.832 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -32.58 71.05 Favored 'General case' 0 C--O 1.19 -2.028 0 C-N-CA 119.416 -0.914 . . . . 25.0 109.485 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -66.32 -44.76 82.49 Favored 'General case' 0 C--O 1.204 -1.313 0 O-C-N 120.091 -1.63 . . . . 25.0 110.845 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.14 -32.69 74.29 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.45 -1.406 . . . . 25.0 110.372 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -72.92 -32.74 65.51 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.956 -1.09 . . . . 25.0 111.901 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 p -92.04 -27.41 17.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 p -120.9 158.44 27.66 Favored 'General case' 0 C--N 1.373 1.61 0 O-C-N 120.74 -1.225 . . . . 25.0 108.687 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -74.68 127.09 36.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 160.85 19.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 122.684 1.23 . . . . 25.0 108.96 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -134.79 148.85 50.3 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.1 tp -58.5 -38.26 77.28 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 123.814 0.696 . . . . 25.0 111.104 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -50.93 -43.68 60.16 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 123.832 0.707 . . . . 25.0 112.385 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.8 -36.44 36.99 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.375 -0.93 . . . . 25.0 110.834 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.79 -39.58 77.87 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.38 -27.2 67.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.651 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.3 -24.66 63.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.425 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 2' ' ' ILE . 92.8 m-85 -83.07 -7.87 59.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.162 -0.926 . . . . 25.0 110.244 -176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.81 11.09 14.4 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.184 1.553 . . . . 25.0 108.326 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 124.908 2.29 . . . . 25.0 112.214 -175.813 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.199 -1.588 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.92 146.7 27.81 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-N 118.944 0.793 . . . . 25.0 109.716 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -91.18 136.86 32.8 Favored 'General case' 0 C--O 1.258 1.528 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.537 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -164.73 161.5 20.66 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 107.351 -1.351 . . . . 25.0 107.351 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.83 107.83 18.86 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.828 0.851 . . . . 25.0 108.83 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.29 115.84 28.08 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 m -121.84 156.91 32.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.586 -1.188 . . . . 25.0 113.604 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.58 -140.68 47.85 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 114.233 -1.349 . . . . 25.0 113.857 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -63.86 -26.18 68.49 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 124.579 0.811 . . . . 25.0 112.816 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.55 -29.44 70.7 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.945 -0.472 . . . . 25.0 111.155 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.57 -56.21 10.37 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 123.542 0.527 . . . . 25.0 110.193 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.96 -29.48 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 119.905 -0.718 . . . . 25.0 111.531 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.25 -45.06 74.22 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 120.272 -0.571 . . . . 25.0 111.713 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.8 95.53 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-O 121.838 0.828 . . . . 25.0 109.493 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -39.66 85.1 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 122.351 1.072 . . . . 25.0 109.71 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.85 -39.27 90.6 Favored 'General case' 0 C--O 1.197 -1.696 0 O-C-N 120.426 -1.421 . . . . 25.0 113.007 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.05 -39.92 96.16 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 118.255 -0.879 . . . . 25.0 111.208 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.96 -30.53 23.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 119.492 1.042 . . . . 25.0 111.517 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -65.38 -47.34 76.71 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 -17.5 3.71 Favored Glycine 0 C--N 1.306 -1.137 0 O-C-N 122.308 -0.245 . . . . 25.0 113.508 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -140.22 177.5 7.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 60.32 52.19 4.99 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.58 132.55 44.38 Favored Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.203 -0.998 . . . . 25.0 112.795 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.37 -28.56 64.13 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 115.392 -0.404 . . . . 25.0 111.476 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -154.89 151.57 28.73 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 123.533 0.521 . . . . 25.0 111.416 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -145.09 148.27 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.219 0.95 . . . . 25.0 111.586 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 78.6 m -112.38 95.61 32.1 Favored Pre-proline 0 N--CA 1.477 0.878 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.926 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.13 94.53 0.74 Allowed 'Trans proline' 0 CA--C 1.562 1.879 0 N-CA-C 113.915 0.698 . . . . 25.0 113.915 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -148.76 44.55 1.01 Allowed 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 123.043 1.401 . . . . 25.0 111.222 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.193 -1.874 0 C-N-CA 126.762 2.025 . . . . 25.0 112.139 177.428 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.391 0 N-CA-C 119.402 2.521 . . . . 25.0 119.402 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -52.94 -40.99 38.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 121.032 -1.275 . . . . 25.0 114.243 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.9 -56.36 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.715 -0.794 . . . . 25.0 111.631 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -67.07 -26.84 66.94 Favored 'General case' 0 C--O 1.173 -2.925 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.805 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.84 -41.44 68.16 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 121.391 -0.818 . . . . 25.0 112.534 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 t -77.46 -46.0 23.91 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.7 m -77.0 6.9 5.51 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 117.616 2.45 . . . . 25.0 117.616 -172.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -103.09 -12.97 17.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.36 -0.536 . . . . 25.0 111.076 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -154.06 -165.27 2.06 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mm -67.61 128.46 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 103.349 -2.834 . . . . 25.0 103.349 168.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -92.52 105.41 17.59 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.53 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.4 p -74.64 153.94 38.72 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 119.206 -0.997 . . . . 25.0 110.543 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.29 -27.09 63.17 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.5 -41.39 98.79 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 120.006 -0.678 . . . . 25.0 110.892 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -70.89 -41.71 70.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.01 -37.13 81.44 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.275 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -69.04 -19.02 64.09 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 117.252 -1.356 . . . . 25.0 109.882 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -70.39 -23.33 62.74 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 120.532 1.514 . . . . 25.0 112.968 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -77.09 -10.92 59.7 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.755 -0.378 . . . . 25.0 110.334 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -105.17 22.36 15.49 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 . . . . . 0 N--CA 1.491 1.578 0 C-N-CA 128.381 2.672 . . . . 25.0 111.693 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 CA--C 1.502 -0.904 0 CA-C-O 122.282 1.039 . . . . 25.0 113.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.408 HG12 ' H ' ' B' ' 32' ' ' VAL . 2.6 p -73.59 137.36 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 CA-C-N 114.076 -1.42 . . . . 25.0 111.901 -172.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.56 128.7 36.67 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -140.34 178.06 7.56 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 119.016 -0.516 . . . . 25.0 111.17 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.91 129.11 34.36 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 104.561 -2.385 . . . . 25.0 104.561 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.87 129.79 40.83 Favored 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 104.657 -2.349 . . . . 25.0 104.657 -175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 t -157.05 171.03 21.19 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 103.907 -2.627 . . . . 25.0 103.907 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.11 -137.72 43.98 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 124.53 1.144 . . . . 25.0 113.019 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.4 p -61.41 -34.83 76.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.36 -1.671 . . . . 25.0 113.268 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.0 -35.36 78.31 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 118.752 0.705 . . . . 25.0 109.634 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.8 -51.34 69.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.864 0.84 . . . . 25.0 108.757 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.96 -38.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.051 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -58.23 -48.61 79.84 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.496 0.718 . . . . 25.0 111.722 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.42 82.89 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.328 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.97 -35.81 73.81 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 122.616 1.198 . . . . 25.0 109.321 178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -69.31 -42.43 75.42 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.97 -32.88 72.78 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.517 -1.23 . . . . 25.0 111.733 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.81 -32.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.757 0 CA-C-N 119.32 0.964 . . . . 25.0 113.214 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -148.43 7.0 0.76 Allowed 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 115.653 1.723 . . . . 25.0 115.653 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.06 30.58 1.34 Allowed Glycine 0 C--O 1.251 1.188 0 CA-C-O 118.312 -1.271 . . . . 25.0 115.715 -174.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.28 -33.23 70.82 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 118.6 1.2 . . . . 25.0 114.004 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -76.48 -18.48 58.74 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 116.64 0.38 Allowed Glycine 0 CA--C 1.541 1.685 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -78.62 -26.51 45.3 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.243 1.021 . . . . 25.0 108.552 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -155.48 105.51 2.46 Favored 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 25.5 t80 60.99 164.07 0.07 Allowed 'General case' 0 C--O 1.199 -1.555 0 C-N-CA 125.37 1.468 . . . . 25.0 113.28 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -128.81 74.57 80.69 Favored Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -83.12 175.3 8.56 Favored 'Trans proline' 0 C--O 1.236 0.381 0 CA-C-O 121.826 0.678 . . . . 25.0 112.892 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.86 108.75 7.59 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.511 2.607 0 C-N-CA 127.271 2.229 . . . . 25.0 114.009 166.766 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 117.634 1.814 . . . . 25.0 117.634 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -51.0 -41.87 23.01 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 CA-C-N 114.089 -1.055 . . . . 25.0 112.923 -176.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.1 -53.03 48.73 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.34 0 O-C-N 121.258 -0.901 . . . . 25.0 112.561 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.74 -20.39 59.84 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 120.982 -1.074 . . . . 25.0 112.316 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.91 -37.66 34.18 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 122.09 0.948 . . . . 25.0 110.219 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.56 -50.44 6.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.277 -1.514 . . . . 25.0 111.795 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.33 50.21 1.41 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 115.207 -0.906 . . . . 25.0 112.819 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -146.44 -5.94 0.56 Allowed 'General case' 0 C--O 1.26 1.608 0 CA-C-O 122.4 1.095 . . . . 25.0 111.46 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -151.96 179.42 8.48 Favored 'General case' 0 C--O 1.189 -2.128 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -72.22 128.28 34.99 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -95.72 104.85 16.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -76.25 151.21 36.87 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.844 0.83 . . . . 25.0 110.695 -175.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' B' ' 31' ' ' PHE . 56.4 tp -56.62 -34.81 67.61 Favored 'General case' 0 C--O 1.186 -2.268 0 CA-C-N 115.155 -0.93 . . . . 25.0 111.864 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.36 -41.99 81.19 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 121.89 -0.506 . . . . 25.0 111.817 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.65 -38.99 28.13 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -36.73 80.13 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 124.199 0.999 . . . . 25.0 110.842 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.33 -21.85 66.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.629 0.581 . . . . 25.0 109.622 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -68.79 -18.95 64.27 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.08 -1.013 . . . . 25.0 111.467 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.33 3.53 52.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 122.552 1.168 . . . . 25.0 112.987 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -85.29 -2.22 57.83 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 123.187 1.47 . . . . 25.0 109.749 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--O 1.193 -1.869 0 C-N-CA 126.212 1.805 . . . . 25.0 113.26 175.278 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 59.2 t80 . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.75 136.35 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -77.4 106.57 9.24 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.853 -1.165 . . . . 25.0 107.853 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -144.06 -177.24 5.34 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.782 -1.199 . . . . 25.0 110.819 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.3 78.79 4.76 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.23 114.25 11.2 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 122.262 1.03 . . . . 25.0 108.385 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -138.94 161.91 36.18 Favored 'General case' 0 N--CA 1.421 -1.92 0 CA-C-N 115.028 -0.987 . . . . 25.0 109.398 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.93 -142.99 44.29 Favored Glycine 0 N--CA 1.416 -2.676 0 C-N-CA 120.569 -0.824 . . . . 25.0 114.68 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -68.54 -21.75 64.54 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.638 -0.425 . . . . 25.0 111.414 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -63.24 -26.62 68.87 Favored 'General case' 0 C--O 1.191 -2.015 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.18 -49.44 56.7 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.471 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.39 -30.13 33.84 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.879 0 CA-C-N 118.382 0.537 . . . . 25.0 110.6 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.67 -50.04 66.37 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.88 94.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.76 -1.213 . . . . 25.0 107.931 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.87 -44.51 86.67 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -66.85 -39.27 87.54 Favored 'General case' 0 C--O 1.204 -1.339 0 O-C-N 121.17 -0.956 . . . . 25.0 112.295 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.62 -43.0 99.91 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-O 122.033 0.921 . . . . 25.0 113.181 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.53 -28.76 14.57 Favored 'Isoleucine or valine' 0 C--O 1.25 1.088 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.988 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 74.8 m -83.59 -46.14 12.71 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 118.614 -1.234 . . . . 25.0 110.523 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.65 27.31 73.92 Favored Glycine 0 C--N 1.312 -0.763 0 C-N-CA 119.667 -1.254 . . . . 25.0 112.187 -174.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.05 4.56 3.37 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -174.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 59.66 39.89 20.63 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 119.076 0.853 . . . . 25.0 112.243 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.96 125.63 5.43 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-N 115.102 -0.953 . . . . 25.0 113.233 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.43 -25.78 57.79 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 118.86 -2.553 . . . . 25.0 110.044 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -116.51 137.94 51.78 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 102.712 -3.07 . . . . 25.0 102.712 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -95.18 110.5 22.46 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 124.24 0.962 . . . . 25.0 109.173 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -131.43 85.56 52.64 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-O 121.704 0.764 . . . . 25.0 109.897 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.61 151.67 58.65 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 117.131 -1.446 . . . . 25.0 111.877 -173.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -135.51 29.4 3.27 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 121.88 0.848 . . . . 25.0 109.187 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.264 0 CA-C-O 123.636 1.684 . . . . 25.0 111.28 -175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.01 1 CA-C-O 128.927 4.626 . . . . 25.0 111.361 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 19' ' ' TYR . 11.4 tt -51.22 -44.62 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 1 CA-C-N 108.155 -4.023 . . . . 25.0 112.805 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.94 -48.16 87.37 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 -175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -66.54 -30.5 70.82 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.172 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.68 -48.53 54.29 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 119.869 1.213 . . . . 25.0 112.237 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 m -81.42 -25.73 35.96 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 -176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 t -71.29 -10.3 59.53 Favored 'General case' 0 C--O 1.268 2.052 0 CA-C-O 119.096 -0.478 . . . . 25.0 111.034 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -116.09 152.01 34.46 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 104.374 -2.454 . . . . 25.0 104.374 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m 51.5 -153.57 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.521 -0.737 . . . . 25.0 110.745 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -130.57 107.15 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.97 122.7 23.0 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 m -75.55 160.05 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -25.61 68.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 25.0 112.577 -176.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -63.15 -41.65 99.32 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 123.323 0.649 . . . . 25.0 110.933 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -75.91 -35.49 59.77 Favored 'General case' 0 C--O 1.195 -1.781 0 CA-C-N 115.255 -0.884 . . . . 25.0 108.855 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.28 -40.64 86.74 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.07 -28.81 55.17 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.808 -1.183 . . . . 25.0 113.61 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.37 -19.68 62.25 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.562 -1.336 . . . . 25.0 109.777 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 2' ' ' ILE . 85.6 m-85 -72.06 -23.61 61.39 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 121.346 -0.846 . . . . 25.0 112.148 173.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.25 -35.7 61.37 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 123.601 1.667 . . . . 25.0 110.069 173.72 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.505 2.289 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.18 132.27 33.37 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 O-C-N 118.978 -2.326 . . . . 25.0 113.601 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -82.24 131.43 35.23 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.27 -0.972 . . . . 25.0 110.236 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -160.69 166.87 28.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -59.08 141.48 53.95 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.892 -1.13 . . . . 25.0 111.365 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.83 98.39 5.79 Favored 'General case' 0 C--O 1.186 -2.245 0 CA-C-O 123.623 1.677 . . . . 25.0 113.408 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -126.47 -146.18 0.33 Allowed 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 114.615 -1.175 . . . . 25.0 108.892 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -29.08 123.32 0.08 OUTLIER Glycine 0 N--CA 1.486 1.99 0 N-CA-C 117.431 1.732 . . . . 25.0 117.431 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m 63.8 -51.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.463 1.653 . . . . 25.0 115.463 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -60.13 -39.73 87.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.63 -54.35 44.07 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.33 -37.86 80.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.94 -46.35 78.48 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.975 -0.453 . . . . 25.0 111.676 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.02 -42.71 89.28 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 120.696 -1.252 . . . . 25.0 108.348 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.69 -45.71 77.77 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 123.321 0.648 . . . . 25.0 110.066 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.82 -44.87 94.99 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.379 -0.826 . . . . 25.0 110.693 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.49 -33.75 76.25 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.74 -26.51 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 O-C-N 120.047 -1.658 . . . . 25.0 114.168 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 67.1 m -79.11 -56.03 4.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 120.278 -0.569 . . . . 25.0 112.337 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.3 24.79 67.76 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.01 -1.091 . . . . 25.0 115.389 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.62 -63.87 1.24 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-N 117.72 0.76 . . . . 25.0 112.151 -172.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -144.78 -32.25 0.41 Allowed 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.23 136.53 8.67 Favored Glycine 0 C--O 1.205 -1.662 0 N-CA-C 109.197 -1.561 . . . . 25.0 109.197 -170.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -82.04 -24.51 35.27 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.919 -0.754 . . . . 25.0 109.702 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -121.1 71.55 0.95 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 105.289 -2.115 . . . . 25.0 105.289 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -140.91 130.43 23.95 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 126.164 2.165 . . . . 25.0 109.649 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.9 p -135.26 146.73 59.28 Favored Pre-proline 0 C--O 1.238 0.485 0 N-CA-C 106.086 -1.82 . . . . 25.0 106.086 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.81 172.78 15.6 Favored 'Trans proline' 0 N--CA 1.439 -1.7 0 C-N-CA 117.651 -1.099 . . . . 25.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -122.84 133.01 54.45 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.381 -0.824 . . . . 25.0 111.229 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.572 1.8 0 CA-C-O 123.795 1.759 . . . . 25.0 110.343 175.726 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 117.101 1.6 . . . . 25.0 117.101 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.71 -35.8 57.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 124.157 0.983 . . . . 25.0 113.444 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -67.69 -52.67 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 119.527 -0.869 . . . . 25.0 111.43 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -67.81 -27.16 66.49 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.201 -0.937 . . . . 25.0 110.806 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -72.27 -47.83 47.11 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 123.635 0.584 . . . . 25.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.7 m -81.89 -18.53 43.4 Favored 'General case' 0 C--O 1.26 1.629 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -88.41 40.19 0.95 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.899 0.857 . . . . 25.0 111.77 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -133.29 -91.13 0.37 Allowed 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.101 -1.409 . . . . 25.0 107.737 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t -81.36 148.77 29.19 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 165.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.05 121.72 16.71 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 CA-C-N 119.128 0.876 . . . . 25.0 109.283 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.54 116.64 6.36 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -64.11 149.7 47.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -22.53 66.51 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 120.224 -1.548 . . . . 25.0 111.919 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -67.66 -35.42 78.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.927 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -79.47 -37.51 36.68 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.299 0.571 . . . . 25.0 111.751 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.21 -34.83 72.63 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.318 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.13 -33.55 67.49 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.818 0.847 . . . . 25.0 110.898 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.73 -22.79 63.35 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.746 -0.782 . . . . 25.0 111.48 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -73.7 -12.36 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.764 -1.21 . . . . 25.0 110.68 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.98 52.13 1.86 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.484 1.232 0 CA-C-N 112.899 -1.955 . . . . 25.0 113.206 -171.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 123.672 1.701 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.09 128.1 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.871 -1.143 . . . . 25.0 111.134 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -84.2 121.63 27.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.3 171.23 14.4 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.17 0.588 . . . . 25.0 110.436 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.86 94.53 3.91 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.16 141.68 38.05 Favored 'General case' 0 CA--C 1.49 -1.355 0 C-N-CA 119.119 -1.032 . . . . 25.0 109.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.27 -144.37 0.27 Allowed 'General case' 0 C--O 1.243 0.727 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.207 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.88 141.26 5.19 Favored Glycine 0 C--O 1.213 -1.194 0 CA-C-N 115.54 -0.755 . . . . 25.0 113.823 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t 63.94 -61.34 0.17 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.458 2.022 . . . . 25.0 116.458 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -32.49 73.59 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 119.75 -1.843 . . . . 25.0 112.07 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -67.16 -38.21 85.06 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 121.019 1.736 . . . . 25.0 108.286 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.69 -35.29 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.61 -42.95 77.41 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.8 95.76 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.268 0.94 . . . . 25.0 109.533 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 tp -58.09 -43.91 87.33 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 121.792 -0.568 . . . . 25.0 110.895 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.492 -1.25 0 O-C-N 120.867 -1.145 . . . . 25.0 111.069 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.22 -31.62 70.32 Favored 'General case' 0 C--O 1.17 -3.106 0 C-N-CA 120.313 -0.555 . . . . 25.0 111.684 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 p -85.66 -31.35 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 119.572 -1.955 . . . . 25.0 112.975 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 86.4 m -70.73 -38.55 73.58 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.267 0.556 . . . . 25.0 112.325 172.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.29 82.86 Favored Glycine 0 C--O 1.216 -1.026 0 CA-C-O 122.6 1.111 . . . . 25.0 112.457 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.49 163.48 25.25 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 121.682 -0.893 . . . . 25.0 109.291 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.92 -15.65 44.7 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 114.981 1.474 . . . . 25.0 114.981 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.22 173.21 12.95 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.19 -4.38 14.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.022 -1.281 . . . . 25.0 111.929 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -109.29 110.77 22.04 Favored 'General case' 0 CA--C 1.482 -1.648 0 N-CA-C 105.799 -1.926 . . . . 25.0 105.799 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -132.01 112.59 12.51 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 125.413 1.696 . . . . 25.0 111.232 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -133.34 95.6 18.08 Favored Pre-proline 0 C--N 1.343 0.293 0 CA-C-N 114.548 -1.206 . . . . 25.0 108.177 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -71.26 103.04 1.34 Allowed 'Trans proline' 0 C--N 1.328 -0.51 0 N-CA-C 114.157 0.791 . . . . 25.0 114.157 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -143.64 116.66 8.87 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.781 -0.645 . . . . 25.0 112.385 170.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.205 -1.254 0 CA-C-O 126.842 3.21 . . . . 25.0 112.238 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.309 0 N-CA-C 120.453 2.941 . . . . 25.0 120.453 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tt -51.28 -32.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 119.584 -2.127 . . . . 25.0 116.183 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.79 -57.94 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.864 -1.148 . . . . 25.0 111.317 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.32 -26.11 68.34 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.685 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.44 -50.22 19.27 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.54 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.96 -21.94 59.83 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.4 m -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 123.647 0.592 . . . . 25.0 110.921 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -125.06 -11.9 7.01 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 122.263 1.03 . . . . 25.0 113.509 -172.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -140.32 168.9 18.71 Favored 'General case' 0 C--O 1.25 1.108 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -90.3 103.42 14.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 106.474 -1.676 . . . . 25.0 106.474 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 p -76.63 111.03 11.7 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 m -62.82 147.07 51.11 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.33 -39.03 44.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.151 0.581 . . . . 25.0 111.505 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -55.16 -40.09 70.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.407 0.622 . . . . 25.0 111.219 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -38.61 18.29 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.336 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.21 -46.71 72.54 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.96 -23.92 67.52 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.225 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.04 -7.7 54.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.385 -0.822 . . . . 25.0 108.908 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -83.93 -10.6 57.83 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -116.26 -162.58 0.85 Allowed 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.382 -1.711 . . . . 25.0 106.382 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.742 1.258 . . . . 25.0 111.344 171.559 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 124.712 2.196 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.53 114.1 42.52 Favored 'Isoleucine or valine' 0 C--N 1.386 2.167 0 O-C-N 120.426 -1.421 . . . . 25.0 110.783 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.08 126.52 33.16 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -163.84 168.81 19.08 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.63 145.43 55.59 Favored 'General case' 0 C--O 1.261 1.691 0 N-CA-C 105.58 -2.008 . . . . 25.0 105.58 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.31 121.84 20.66 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -158.74 165.96 33.1 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.62 79.9 0.07 OUTLIER Glycine 0 C--O 1.258 1.604 0 N-CA-C 116.676 1.43 . . . . 25.0 116.676 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m 60.21 -32.64 0.06 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 117.102 2.26 . . . . 25.0 117.102 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -61.34 -32.73 72.62 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 120.257 1.389 . . . . 25.0 112.12 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.47 -44.28 94.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 119.039 0.836 . . . . 25.0 111.872 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.35 -40.94 83.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -67.3 -41.6 85.12 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.407 -0.815 . . . . 25.0 108.881 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.77 94.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.03 -36.42 83.2 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 123.734 0.814 . . . . 25.0 110.136 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -69.18 -43.8 73.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.623 -1.298 . . . . 25.0 109.33 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.61 -39.51 80.83 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.868 -1.06 . . . . 25.0 112.693 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.7 -26.0 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 95.1 m -92.23 -26.2 18.28 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.88 29.43 63.05 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 124.342 2.079 . . . . 25.0 112.906 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 165.53 25.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.398 -1.401 . . . . 25.0 110.291 -173.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.99 -36.52 64.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.827 -2.657 . . . . 25.0 103.827 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.03 150.66 5.69 Favored Glycine 0 N--CA 1.435 -1.43 0 N-CA-C 108.258 -1.937 . . . . 25.0 108.258 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -93.5 -45.93 7.54 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 122.139 0.971 . . . . 25.0 111.976 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -147.04 108.09 4.21 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.03 -1.668 . . . . 25.0 112.599 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 52.1 t80 59.27 139.53 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 116.512 2.041 . . . . 25.0 116.512 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.07 93.48 38.76 Favored Pre-proline 0 CA--C 1.502 -0.875 0 CA-C-O 121.665 0.745 . . . . 25.0 112.182 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.59 153.02 65.38 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 CA-C-O 122.947 1.144 . . . . 25.0 110.986 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -75.72 -38.9 58.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 113.416 -1.72 . . . . 25.0 110.586 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 123.961 1.838 . . . . 25.0 110.888 -179.563 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.264 0 CA-C-O 123.814 1.785 . . . . 25.0 113.556 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tt -52.56 -46.0 48.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 CA-C-N 112.268 -1.966 . . . . 25.0 111.67 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -63.46 -45.17 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.51 -1.369 . . . . 25.0 112.026 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.01 -53.44 55.48 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.735 1.255 . . . . 25.0 113.663 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -72.7 -23.0 60.81 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 119.998 -1.689 . . . . 25.0 111.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -65.42 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -128.66 7.13 5.68 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.146 1.378 . . . . 25.0 112.673 -175.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -137.36 -173.1 3.38 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.454 -0.778 . . . . 25.0 112.189 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mm -83.37 -48.05 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 O-C-N 121.479 -0.763 . . . . 25.0 109.006 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m 50.2 69.68 0.59 Allowed 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 124.667 1.229 . . . . 25.0 110.133 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.7 m -69.15 168.23 14.48 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.223 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 HG21 ' B' ' 48' ' ' VAL . 18.5 tp -43.13 -44.42 5.01 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 114.551 1.315 . . . . 25.0 114.551 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -58.55 -38.78 78.53 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -81.21 -37.12 29.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.06 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.11 -39.42 78.62 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 122.967 1.365 . . . . 25.0 113.618 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.25 -21.08 66.28 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.038 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.4 -22.4 61.12 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -81.93 -9.82 59.47 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 120.048 -1.657 . . . . 25.0 111.474 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -93.99 50.9 1.46 Allowed 'General case' 0 C--O 1.253 1.243 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--O 1.2 -1.534 0 CA-C-O 125.169 2.414 . . . . 25.0 110.052 -178.789 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.847 1.308 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.92 114.37 27.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -82.12 106.63 14.18 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -140.92 150.97 43.85 Favored 'General case' 0 CA--C 1.482 -1.659 0 CA-C-N 120.741 1.609 . . . . 25.0 107.426 -173.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.99 141.59 56.21 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 122.439 1.114 . . . . 25.0 108.577 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.96 127.87 29.43 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.951 0.881 . . . . 25.0 109.887 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 47.1 t -140.81 -43.61 0.39 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.297 -1.502 . . . . 25.0 111.734 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 -157.31 14.05 Favored Glycine 0 N--CA 1.431 -1.641 0 O-C-N 124.097 0.873 . . . . 25.0 111.365 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -60.54 -12.14 9.04 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 119.053 1.427 . . . . 25.0 110.357 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -56.94 -32.11 65.66 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.492 -0.755 . . . . 25.0 112.512 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.44 -57.28 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.35 1.031 . . . . 25.0 112.976 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -65.1 -27.66 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.864 0 O-C-N 121.177 -0.952 . . . . 25.0 111.817 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -71.22 -37.36 72.04 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.492 0.495 . . . . 25.0 110.461 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.98 76.96 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -33.22 74.62 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-O 122.069 0.938 . . . . 25.0 112.483 175.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -68.7 -42.47 77.72 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.165 -1.584 . . . . 25.0 108.856 172.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.72 -30.4 71.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 13' ' ' LEU . 7.9 p -93.93 -39.18 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.84 23.5 4.26 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -170.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.48 68.43 3.55 Favored Glycine 0 C--O 1.217 -0.962 0 O-C-N 120.833 -1.167 . . . . 25.0 113.525 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.53 52.56 0.8 Allowed 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 58.22 34.55 24.23 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 124.362 1.065 . . . . 25.0 110.456 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.47 -29.28 7.53 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 116.412 1.325 . . . . 25.0 116.412 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -75.43 -29.4 59.71 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.154 -1.792 . . . . 25.0 110.88 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -152.23 152.56 32.37 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 121.359 -0.838 . . . . 25.0 112.325 -170.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -118.93 109.25 15.76 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.71 84.8 60.15 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 113.476 -1.693 . . . . 25.0 111.187 -176.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -80.25 67.45 8.62 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.141 1.894 . . . . 25.0 111.389 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -142.42 156.56 45.21 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.194 -1.851 0 CA-C-O 124.663 2.173 . . . . 25.0 114.632 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.717 0 CA-C-O 122.924 1.291 . . . . 25.0 114.619 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -49.21 -47.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.356 -1.085 . . . . 25.0 112.49 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.62 -59.1 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.592 -0.692 . . . . 25.0 112.264 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -62.72 -26.34 68.63 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -71.56 -51.97 20.63 Favored 'General case' 0 C--O 1.191 -2.002 0 C-N-CA 119.663 -0.815 . . . . 25.0 109.509 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -76.01 -16.04 60.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 119.089 -2.257 . . . . 25.0 114.311 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.36 -23.95 60.27 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 121.424 -0.798 . . . . 25.0 111.539 172.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.26 -9.96 9.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.638 0.732 . . . . 25.0 112.067 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -134.59 164.4 27.59 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -95.23 116.49 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 106.025 -1.842 . . . . 25.0 106.025 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.5 m -92.14 109.02 20.37 Favored 'General case' 0 C--O 1.183 -2.428 0 CA-C-N 114.078 -1.419 . . . . 25.0 109.822 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -62.46 155.77 24.61 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -62.78 -29.65 70.86 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.705 -0.622 . . . . 25.0 110.889 173.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -59.02 -34.65 72.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.08 -0.509 . . . . 25.0 109.947 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -84.96 -40.08 17.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 -41.21 92.18 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 123.151 0.58 . . . . 25.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.31 -25.44 68.31 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.715 1.143 . . . . 25.0 113.546 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.09 -23.98 65.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.609 -0.682 . . . . 25.0 112.082 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.8 -19.52 61.32 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.665 -0.814 . . . . 25.0 110.575 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.98 12.55 23.55 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.195 0.998 . . . . 25.0 110.648 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--O 1.192 -1.956 0 CA-C-O 128.315 3.912 . . . . 25.0 108.266 178.597 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 N--CA 1.51 2.558 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.65 127.27 13.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 O-C-N 120.103 -1.623 . . . . 25.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -87.81 105.13 17.19 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.719 1.723 . . . . 25.0 110.169 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -142.53 163.52 32.6 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 107.745 -1.205 . . . . 25.0 107.745 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -67.14 145.65 55.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.62 104.71 8.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.92 0.488 . . . . 25.0 110.99 -173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.02 139.75 23.86 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.787 0.835 . . . . 25.0 110.811 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 87.47 0.26 Allowed Glycine 0 C--O 1.202 -1.851 0 N-CA-C 115.452 0.941 . . . . 25.0 115.452 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 61.55 -43.68 0.14 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.046 2.239 . . . . 25.0 117.046 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -39.55 69.93 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.628 1.344 . . . . 25.0 114.628 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.15 -53.9 52.86 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.45 -30.18 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 121.131 -0.981 . . . . 25.0 109.533 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.53 -48.97 75.34 Favored 'General case' 0 N--CA 1.51 2.529 0 N-CA-C 108.725 -0.843 . . . . 25.0 108.725 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.93 99.11 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.888 0.475 . . . . 25.0 110.824 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.539 0.524 . . . . 25.0 109.718 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -60.35 -44.28 95.69 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 120.932 -1.105 . . . . 25.0 112.043 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.62 -34.72 78.88 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -79.66 -29.9 13.32 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 119.382 -0.927 . . . . 25.0 109.103 -175.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.32 -51.07 40.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.422 0.451 . . . . 25.0 111.625 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.43 24.5 65.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 119.465 -1.35 . . . . 25.0 112.058 -170.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -127.38 143.98 51.13 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 118.276 1.038 . . . . 25.0 108.958 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -98.69 16.74 21.12 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.75 26.65 10.28 Favored Glycine 0 CA--C 1.541 1.688 0 O-C-N 121.232 -0.917 . . . . 25.0 113.445 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -78.02 -44.7 25.76 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 117.859 0.83 . . . . 25.0 110.444 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -132.98 152.18 51.98 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-O 119.23 -0.414 . . . . 25.0 111.594 176.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -143.37 125.46 15.37 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 123.698 0.624 . . . . 25.0 111.382 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.81 89.77 4.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 105.992 -1.855 . . . . 25.0 105.992 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.34 128.95 16.19 Favored 'Trans proline' 0 C--O 1.252 1.21 0 C-N-CA 118.068 -0.821 . . . . 25.0 111.636 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -145.26 111.17 5.5 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 106.096 -1.816 . . . . 25.0 106.096 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.597 0 CA-C-O 126.204 3.113 . . . . 25.0 115.73 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.85 -35.19 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.005 0 O-C-N 120.242 -1.74 . . . . 25.0 111.99 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.92 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.594 0 CA-C-N 114.498 -1.228 . . . . 25.0 110.114 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.29 -32.16 64.47 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.81 -38.61 64.53 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.143 -0.481 . . . . 25.0 109.706 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -40.1 9.5 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.647 0.981 . . . . 25.0 113.647 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.06 76.78 10.21 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.126 -1.609 . . . . 25.0 109.781 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.29 -40.87 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 114.722 -1.126 . . . . 25.0 112.11 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -146.9 36.83 0.95 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.28 1.038 . . . . 25.0 112.264 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt 56.59 76.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 114.341 -1.3 . . . . 25.0 110.148 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.18 148.1 45.64 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 119.558 -0.857 . . . . 25.0 112.655 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -84.96 166.2 16.97 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 118.799 -0.619 . . . . 25.0 111.356 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.94 -28.93 68.69 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.76 -38.53 78.67 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.89 -43.37 36.05 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 123.9 0.75 . . . . 25.0 110.863 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 tp -53.41 -43.1 67.68 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.86 -19.4 65.03 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 115.295 1.591 . . . . 25.0 115.295 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.06 -23.23 67.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.473 172.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.93 -7.81 57.84 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.208 0.527 . . . . 25.0 110.724 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.41 40.24 1.73 Allowed 'General case' 0 C--O 1.195 -1.809 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.378 1.816 0 C-N-CA 126.769 2.028 . . . . 25.0 114.267 179.089 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 C--O 1.196 -1.733 0 CA-C-O 121.808 0.813 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 30.9 m -91.08 161.12 2.63 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.19 146.19 42.51 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -165.81 177.99 6.84 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.58 78.41 4.09 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.16 -1.587 . . . . 25.0 110.26 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.94 119.99 14.99 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.557 -0.714 . . . . 25.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.34 168.16 21.15 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.01 -133.47 12.33 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 124.121 1.956 . . . . 25.0 114.157 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -33.3 75.48 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.863 -1.375 . . . . 25.0 114.063 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -62.62 -33.95 76.04 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -46.59 82.64 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 119.664 1.12 . . . . 25.0 109.383 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.94 -37.93 81.48 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -67.21 -50.81 59.43 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 124.945 1.403 . . . . 25.0 109.309 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.205 -1.28 0 O-C-N 121.379 -0.825 . . . . 25.0 111.146 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.07 -37.31 83.79 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.756 1.265 . . . . 25.0 111.913 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.91 -48.04 80.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.61 -42.3 99.5 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.13 -35.06 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 118.472 -0.775 . . . . 25.0 111.282 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 90.2 m -77.45 -48.58 16.78 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.598 0.561 . . . . 25.0 110.757 175.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.34 -45.9 2.41 Favored Glycine 0 C--N 1.299 -1.481 0 C-N-CA 120.94 -0.648 . . . . 25.0 111.893 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.84 69.31 0.68 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.326 1.563 . . . . 25.0 112.583 -176.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.59 45.95 23.83 Favored 'General case' 0 C--O 1.193 -1.9 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.57 -29.15 53.29 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 116.746 1.459 . . . . 25.0 116.746 -170.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -141.53 -138.74 0.12 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.588 -1.264 . . . . 25.0 107.588 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.18 129.41 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.138 0.494 . . . . 25.0 110.412 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -142.89 131.27 22.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.011 -0.431 . . . . 25.0 111.099 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.8 p -135.87 151.6 74.3 Favored Pre-proline 0 C--O 1.261 1.66 0 CA-C-N 114.467 -1.242 . . . . 25.0 109.994 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -75.27 153.31 40.44 Favored 'Trans proline' 0 CA--C 1.548 1.203 0 C-N-CA 115.589 -2.474 . . . . 25.0 112.952 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -128.15 -40.02 1.69 Allowed 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 123.15 1.453 . . . . 25.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.199 -1.601 0 CA-C-O 123.294 1.521 . . . . 25.0 108.616 -179.12 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.647 0 CA-C-O 124.043 1.913 . . . . 25.0 113.808 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' TYR . 9.3 tt -51.98 -41.11 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 112.09 -2.055 . . . . 25.0 111.174 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.84 -62.06 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 CA-C-O 118.507 -0.759 . . . . 25.0 109.522 -175.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.64 -25.1 66.05 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 119.462 -0.895 . . . . 25.0 110.617 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -70.47 -55.37 9.13 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.519 -0.753 . . . . 25.0 109.422 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -71.82 -16.98 62.18 Favored 'General case' 0 CA--C 1.562 1.426 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -177.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -73.92 -24.99 59.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 119.335 -0.364 . . . . 25.0 110.388 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -115.07 -30.56 6.32 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 m -107.42 165.67 11.23 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.221 -1.549 . . . . 25.0 110.339 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -89.05 104.8 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 105.041 -2.207 . . . . 25.0 105.041 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.2 m -74.19 115.66 13.95 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -67.46 154.34 41.61 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' B' ' 31' ' ' PHE . 69.8 mt -68.74 -28.45 66.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.99 -44.88 94.23 Favored 'General case' 0 C--O 1.194 -1.863 0 O-C-N 125.002 1.439 . . . . 25.0 108.872 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -74.42 -34.51 63.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 121.485 -0.759 . . . . 25.0 109.386 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.77 -38.46 81.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 118.361 0.528 . . . . 25.0 110.328 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -59.43 -24.13 63.25 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 114.353 1.242 . . . . 25.0 114.353 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.05 -20.82 60.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 124.29 1.995 . . . . 25.0 111.828 -175.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 2' ' ' ILE . 39.9 m-85 -80.19 -4.3 52.51 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.368 -1.287 . . . . 25.0 110.487 172.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -114.58 36.91 3.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.947 1.356 . . . . 25.0 111.128 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.209 -1.027 0 C-N-CA 124.852 1.261 . . . . 25.0 112.929 -171.314 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 42.7 t80 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.9 142.54 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 119.266 -2.146 . . . . 25.0 112.07 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.5 103.99 16.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.007 -1.077 . . . . 25.0 110.232 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.4 171.7 15.07 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.794 -0.567 . . . . 25.0 110.443 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.9 148.96 48.34 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.62 115.76 22.0 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 123.242 0.617 . . . . 25.0 109.52 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -131.06 -54.94 1.05 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.16 1.911 . . . . 25.0 116.16 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.91 -142.71 4.64 Favored Glycine 0 C--N 1.346 1.097 0 C-N-CA 119.196 -1.478 . . . . 25.0 112.128 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -52.71 -24.35 8.46 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 118.077 0.939 . . . . 25.0 113.428 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -57.87 -24.05 55.81 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.22 -58.26 3.98 Favored 'General case' 0 C--O 1.187 -2.199 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.52 -29.65 47.21 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.8 0 CA-C-O 121.053 0.454 . . . . 25.0 109.943 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.75 -46.86 77.25 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 122.395 1.093 . . . . 25.0 110.853 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.03 87.78 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.47 -0.769 . . . . 25.0 109.171 173.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -35.75 74.98 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 121.9 0.857 . . . . 25.0 112.364 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.41 ' HE1' ' HG1' ' B' ' 57' ' ' THR . 13.5 t80 -69.68 -41.0 76.05 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.243 -0.89 . . . . 25.0 108.747 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.2 -39.49 89.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.177 -1.392 . . . . 25.0 110.76 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.07 -34.48 10.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.735 0 CA-C-N 119.719 1.145 . . . . 25.0 113.477 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -120.33 -17.07 8.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.927 1.454 . . . . 25.0 114.927 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.22 56.92 4.04 Favored Glycine 0 C--O 1.202 -1.851 0 C-N-CA 119.162 -1.494 . . . . 25.0 115.608 -169.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.48 -44.98 85.35 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.91 0.355 . . . . 25.0 110.289 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -87.58 -4.5 58.96 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 123.038 1.399 . . . . 25.0 110.393 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.96 148.79 18.8 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 114.859 -1.064 . . . . 25.0 110.983 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.16 -36.16 35.5 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.254 0.55 . . . . 25.0 111.986 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -151.97 44.4 0.74 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 t80 65.67 110.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.41 ' HG1' ' HE1' ' B' ' 46' ' ' TYR . 19.5 p -136.28 72.8 58.5 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 -171.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.12 150.58 72.26 Favored 'Trans proline' 0 N--CA 1.429 -2.319 0 CA-C-O 122.74 1.058 . . . . 25.0 110.295 176.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -152.29 121.32 6.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 122.513 1.149 . . . . 25.0 108.874 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 127.49 3.519 . . . . 25.0 110.421 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.284 0 N-CA-C 116.693 1.437 . . . . 25.0 116.693 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -60.65 -31.76 49.97 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.407 -0.896 . . . . 25.0 111.663 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.27 -48.69 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 119.465 -0.894 . . . . 25.0 110.612 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.95 -37.04 85.96 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -69.39 -33.75 73.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -21.32 13.89 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.347 1.24 . . . . 25.0 114.347 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.08 -22.98 63.97 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.018 -1.051 . . . . 25.0 109.816 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.7 p -105.21 149.21 26.14 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m 59.11 176.73 0.07 Allowed 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mm -91.6 129.17 42.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.66 146.02 38.42 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 119.311 -0.376 . . . . 25.0 111.069 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -122.28 134.33 54.67 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.83 -32.66 73.91 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.096 -0.641 . . . . 25.0 110.211 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -52.82 -54.07 39.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 123.993 0.808 . . . . 25.0 109.519 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.17 -39.87 93.53 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.61 -0.681 . . . . 25.0 111.096 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.13 -40.72 98.4 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.23 -23.38 65.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.44 -16.43 62.38 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 118.106 -0.95 . . . . 25.0 110.745 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.31 -14.06 60.47 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.8 t -107.51 -59.55 1.81 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 123.899 1.809 . . . . 25.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 124.36 2.029 . . . . 25.0 109.521 -176.554 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.196 -1.745 0 CA-C-O 121.688 0.756 . . . . 25.0 112.566 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.77 140.18 46.55 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 C-N-CA 124.183 0.993 . . . . 25.0 108.854 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.07 97.4 10.71 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.37 175.27 12.41 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 122.969 1.366 . . . . 25.0 107.699 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -75.84 146.76 39.63 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 105.796 -1.927 . . . . 25.0 105.796 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.95 125.51 44.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.56 167.0 31.8 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 -176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.83 -150.12 48.64 Favored Glycine 0 C--O 1.21 -1.357 0 N-CA-C 108.93 -1.668 . . . . 25.0 108.93 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 -35.56 80.78 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.422 0.719 . . . . 25.0 112.518 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.41 -35.61 74.3 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 117.777 -1.106 . . . . 25.0 113.232 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.35 -53.01 62.38 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.729 0.643 . . . . 25.0 111.968 172.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.72 -22.66 16.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.952 0 O-C-N 121.174 -0.953 . . . . 25.0 110.06 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -75.92 -40.27 54.58 Favored 'General case' 0 C--O 1.185 -2.302 0 CA-C-N 115.114 -0.948 . . . . 25.0 111.103 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.7 95.89 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.749 -0.595 . . . . 25.0 111.879 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.13 -40.85 98.79 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 124.114 0.883 . . . . 25.0 111.447 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.16 -40.57 94.52 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.952 -1.023 . . . . 25.0 110.817 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.41 -43.77 98.3 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.673 0.669 . . . . 25.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.34 -22.58 14.37 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 117.403 -1.719 . . . . 25.0 114.74 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 24.5 t -95.57 -45.0 7.24 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.47 -3.44 82.1 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 120.464 -1.398 . . . . 25.0 114.284 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 132.34 42.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 121.291 -1.123 . . . . 25.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -83.24 -13.19 55.83 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 121.658 0.742 . . . . 25.0 110.838 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.0 42.21 3.09 Favored Glycine 0 C--O 1.207 -1.543 0 N-CA-C 115.313 0.885 . . . . 25.0 115.313 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.88 -56.73 4.26 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.066 -1.255 . . . . 25.0 111.203 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -145.54 34.06 1.05 Allowed 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 62.2 t80 66.02 120.98 0.02 OUTLIER 'General case' 0 C--O 1.182 -2.473 0 C-N-CA 126.048 1.739 . . . . 25.0 114.637 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -140.29 134.84 15.68 Favored Pre-proline 0 C--O 1.245 0.861 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.04 152.53 82.03 Favored 'Trans proline' 0 C--O 1.204 -1.185 0 C-N-CA 116.528 -1.848 . . . . 25.0 110.771 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -53.43 -44.5 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.252 -0.886 . . . . 25.0 112.706 -176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.52 3.069 0 CA-C-O 126.057 2.837 . . . . 25.0 110.326 -178.319 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 123.863 1.813 . . . . 25.0 115.997 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.413 HD12 ' CG ' ' A' ' 19' ' ' TYR . 12.0 tt -47.6 -47.6 10.88 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.621 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.21 -47.13 82.48 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 C-N-CA 119.598 -0.841 . . . . 25.0 111.312 -173.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -69.45 -35.28 75.51 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 118.133 -0.937 . . . . 25.0 108.842 -175.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.48 -46.2 67.21 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 120.202 1.364 . . . . 25.0 110.118 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -77.59 -13.73 59.83 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 119.859 1.209 . . . . 25.0 113.625 -175.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -84.56 -13.92 50.37 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.82 -6.46 7.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.735 -176.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -142.6 169.19 18.03 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.44 0.638 . . . . 25.0 109.676 175.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.46 93.06 4.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 123.18 1.467 . . . . 25.0 109.664 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.06 129.23 37.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.313 -1.365 . . . . 25.0 107.313 177.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -93.13 168.34 11.18 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 31' ' ' PHE . 8.2 tt -62.68 -32.89 74.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 118.691 0.678 . . . . 25.0 109.176 175.065 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -55.82 -39.41 71.34 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.117 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -90.41 -35.99 14.85 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 120.803 -1.186 . . . . 25.0 111.204 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.13 -29.87 70.63 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 115.975 -0.557 . . . . 25.0 112.231 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.08 -25.31 58.52 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 114.186 1.18 . . . . 25.0 114.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.24 -22.81 65.67 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.748 -1.22 . . . . 25.0 110.09 -178.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CG ' HD12 ' A' ' 2' ' ' ILE . 51.9 m-85 -82.69 -2.27 53.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.515 0.509 . . . . 25.0 109.783 176.831 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.63 43.84 1.97 Allowed 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 125.594 2.616 . . . . 25.0 113.741 -178.509 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.405 ' CD1' HD12 ' A' ' 13' ' ' LEU . 73.3 t80 . . . . . 0 C--O 1.186 -2.261 0 CA-C-O 124.726 2.203 . . . . 25.0 112.001 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.27 114.02 44.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 119.335 -2.103 . . . . 25.0 109.784 176.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.73 137.37 39.3 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -159.36 169.02 24.91 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.039 -171.038 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -72.15 144.75 48.48 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 -178.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.27 94.76 2.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.663 -175.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 t -130.89 161.12 32.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 173.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.7 -144.34 46.81 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 124.024 0.827 . . . . 25.0 113.09 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -65.35 -26.47 68.04 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.312 -1.444 . . . . 25.0 111.529 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -38.27 72.35 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.617 -0.833 . . . . 25.0 111.171 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.71 -42.21 97.98 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 118.788 -0.625 . . . . 25.0 111.293 -179.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -71.83 -36.47 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 122.81 1.29 . . . . 25.0 109.779 -177.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.04 -52.32 63.3 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.45 86.7 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.89 -40.43 96.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.479 . . . . 25.0 109.705 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.99 -43.17 99.41 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.86 -40.01 87.72 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.94 -36.36 73.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 98.6 m -67.91 -31.56 71.43 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 174.246 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.67 -83.53 0.35 Allowed Glycine 0 C--O 1.247 0.927 0 CA-C-O 121.833 0.685 . . . . 25.0 112.248 176.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -153.03 22.91 0.57 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -59.7 -48.07 83.13 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 119.97 -0.692 . . . . 25.0 112.77 -173.221 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.69 106.52 0.25 Allowed Glycine 0 C--O 1.198 -2.113 0 N-CA-C 110.315 -1.114 . . . . 25.0 110.315 -173.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -77.03 -21.18 54.95 Favored 'General case' 0 C--O 1.269 2.116 0 O-C-N 120.238 -1.742 . . . . 25.0 112.535 -179.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -157.27 132.5 9.01 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -153.09 150.54 29.22 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 106.74 -1.578 . . . . 25.0 106.74 176.342 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.71 96.08 47.51 Favored Pre-proline 0 N--CA 1.443 -0.795 0 CA-C-O 122.116 0.96 . . . . 25.0 111.233 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.85 173.0 15.23 Favored 'Trans proline' 0 C--O 1.207 -1.063 0 C-N-CA 121.477 1.451 . . . . 25.0 112.386 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -125.01 -7.02 7.2 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 122.562 1.173 . . . . 25.0 112.476 172.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.201 -1.498 0 O-C-N 119.725 -1.859 . . . . 25.0 109.423 -177.927 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.147 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 19' ' ' TYR . 10.1 tt -47.96 -43.78 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.436 0.694 . . . . 25.0 112.201 -175.448 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.59 -53.93 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.814 -0.554 . . . . 25.0 111.691 -174.18 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -70.44 -27.29 64.15 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 120.086 -0.646 . . . . 25.0 109.912 -176.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -69.87 -43.19 72.38 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.669 0.747 . . . . 25.0 111.429 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.86 -30.39 26.49 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 115.853 -0.612 . . . . 25.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.16 -42.67 75.59 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 115.674 1.731 . . . . 25.0 115.674 176.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -80.44 -5.07 55.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.003 -0.544 . . . . 25.0 111.478 -172.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -137.65 166.53 23.7 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.592 0.557 . . . . 25.0 110.716 -176.524 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.05 123.89 26.16 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 N-CA-C 103.21 -2.885 . . . . 25.0 103.21 173.292 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 110.42 18.58 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.226 -178.251 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.89 143.02 51.13 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 123.917 0.76 . . . . 25.0 110.867 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.27 -47.19 86.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 121.536 -0.727 . . . . 25.0 111.313 176.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.19 -38.45 70.98 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -179.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -73.11 -41.0 64.5 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.941 -0.474 . . . . 25.0 109.962 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.82 -29.03 69.97 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.891 0.853 . . . . 25.0 110.082 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.26 -20.35 66.38 Favored 'General case' 0 C--O 1.193 -1.884 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.655 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.84 -17.85 61.01 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 121.016 -1.053 . . . . 25.0 108.386 -176.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HD12 ' A' ' 2' ' ' ILE . 53.6 m-85 -95.79 8.85 42.38 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 123.342 0.657 . . . . 25.0 109.703 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.26 124.33 19.97 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 123.231 1.491 . . . . 25.0 110.283 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.496 1.119 . . . . 25.0 111.176 -179.577 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.2 -1.518 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.6 t -79.71 128.63 38.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 105.918 -1.882 . . . . 25.0 105.918 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -109.77 138.76 45.67 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 123.366 1.555 . . . . 25.0 110.948 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.13 176.39 9.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.167 -0.924 . . . . 25.0 109.494 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -85.42 87.61 7.41 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.328 1.061 . . . . 25.0 108.428 167.293 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -87.11 111.42 20.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 -168.185 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 m -105.03 -82.26 0.52 Allowed 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -177.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.67 -94.67 2.02 Favored Glycine 0 N--CA 1.484 1.841 0 C-N-CA 119.623 -1.275 . . . . 25.0 115.11 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -57.76 -42.24 83.61 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.797 1.284 . . . . 25.0 112.617 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -57.67 -36.38 71.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 121.159 -0.963 . . . . 25.0 111.926 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.29 -51.65 50.22 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-N 118.903 0.774 . . . . 25.0 109.317 -174.002 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -29.22 37.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 125.355 1.659 . . . . 25.0 108.291 -175.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -71.19 -40.7 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.521 0.677 . . . . 25.0 112.597 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.73 74.56 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 121.292 -0.88 . . . . 25.0 108.663 176.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.41 -30.6 70.4 Favored 'General case' 0 N--CA 1.428 -1.535 0 O-C-N 121.372 -0.83 . . . . 25.0 111.631 176.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -63.67 -40.33 96.56 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.595 -1.316 . . . . 25.0 113.085 170.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.06 -38.08 89.79 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.804 -1.159 . . . . 25.0 109.85 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.54 -52.84 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.371 0.668 . . . . 25.0 112.063 -175.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 69.1 m -148.07 53.4 1.03 Allowed 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 120.518 -0.473 . . . . 25.0 111.13 -177.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.51 46.69 3.1 Favored Glycine 0 CA--C 1.492 -1.378 0 CA-C-N 115.85 -0.613 . . . . 25.0 114.369 175.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -48.68 69.31 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 -171.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.79 -16.56 19.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.036 0.922 . . . . 25.0 110.144 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.98 150.81 9.64 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.732 -172.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -103.91 -38.14 7.13 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 121.137 0.494 . . . . 25.0 111.272 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -167.89 158.72 10.91 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -150.92 160.79 43.68 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.5 t -118.18 79.96 15.05 Favored Pre-proline 0 CA--C 1.553 1.065 0 CA-C-O 121.887 0.851 . . . . 25.0 108.828 176.208 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.16 157.19 60.39 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 117.697 -1.068 . . . . 25.0 114.279 176.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -142.92 -63.04 0.42 Allowed 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.12 -0.945 . . . . 25.0 113.335 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 CA--C 1.556 1.201 0 CA-C-O 125.731 2.682 . . . . 25.0 109.161 179.64 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 3.836 0 N-CA-C 119.124 2.41 . . . . 25.0 119.124 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 tt -52.64 -44.95 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 CA-C-N 114.022 -1.089 . . . . 25.0 112.755 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.98 -55.59 21.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 120.285 -1.51 . . . . 25.0 112.686 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.75 -37.41 87.27 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.312 -1.736 . . . . 25.0 106.312 -175.306 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 124.049 0.843 . . . . 25.0 110.76 -178.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -84.43 -17.78 38.11 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.788 1.28 . . . . 25.0 114.007 -179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.77 -43.6 16.55 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.243 -0.911 . . . . 25.0 113.03 174.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -76.07 -26.61 56.67 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.603 1.192 . . . . 25.0 111.935 -175.335 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -138.08 146.95 43.55 Favored 'General case' 0 CA--C 1.477 -1.858 0 N-CA-C 104.727 -2.323 . . . . 25.0 104.727 173.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.95 119.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 -177.417 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 m -64.18 126.71 28.63 Favored 'General case' 0 C--O 1.244 0.81 0 O-C-N 121.619 -0.675 . . . . 25.0 110.133 171.25 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -74.61 152.85 39.19 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 119.375 -0.93 . . . . 25.0 109.002 178.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -59.11 -32.29 69.69 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.725 0.774 . . . . 25.0 111.104 -177.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.44 -39.93 95.8 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.022 1.329 . . . . 25.0 110.83 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -82.11 -27.84 32.59 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.973 -1.091 . . . . 25.0 109.075 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.27 -36.23 82.43 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.475 0.655 . . . . 25.0 111.662 179.313 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.7 -26.21 63.64 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.408 172.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -69.75 -21.09 63.48 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.712 -0.677 . . . . 25.0 110.287 -177.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.65 -6.41 59.35 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.898 -0.501 . . . . 25.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -82.17 109.62 16.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 123.596 1.665 . . . . 25.0 113.555 -177.319 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -67.13 117.39 8.2 Favored 'Isoleucine or valine' 0 C--O 1.259 1.593 0 O-C-N 120.885 -1.134 . . . . 25.0 109.131 -178.573 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -70.79 148.06 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -176.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -160.02 178.11 10.05 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -81.56 93.47 6.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.41 98.87 1.49 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -175.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 m -139.01 167.44 22.04 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 177.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.49 68.18 1.81 Allowed Glycine 0 C--O 1.221 -0.682 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.218 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m 71.11 -26.03 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -60.8 -35.49 76.61 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.54 -51.34 69.01 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.874 0.368 . . . . 25.0 111.736 -178.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -72.67 -29.72 31.26 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-O 121.494 0.664 . . . . 25.0 109.729 -177.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -42.5 74.67 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.901 -1.124 . . . . 25.0 109.088 177.37 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.04 99.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.047 1.403 . . . . 25.0 109.511 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -38.36 87.63 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 113.672 -1.603 . . . . 25.0 109.047 -178.235 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.66 -37.9 85.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.859 1.059 . . . . 25.0 113.859 173.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.37 -36.74 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.343 -0.223 . . . . 25.0 111.552 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.45 -28.59 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 115.461 1.652 . . . . 25.0 115.461 -178.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.55 33.23 0.27 Allowed 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.484 0.659 . . . . 25.0 112.169 -175.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.9 -60.74 4.08 Favored Glycine 0 C--O 1.195 -2.289 0 O-C-N 120.468 -1.395 . . . . 25.0 113.436 176.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 47.11 48.77 15.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 58.95 19.68 7.39 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.724 1.379 . . . . 25.0 114.724 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.84 -132.62 6.85 Favored Glycine 0 C--O 1.263 1.915 0 N-CA-C 108.872 -1.691 . . . . 25.0 108.872 173.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.52 21.19 12.47 Favored 'General case' 0 C--O 1.27 2.162 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 178.18 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 35.3 t80 54.73 41.37 31.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 123.857 1.789 . . . . 25.0 110.12 175.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -131.99 151.11 51.93 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 111.901 -2.408 . . . . 25.0 105.972 172.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.6 p -117.2 90.31 33.41 Favored Pre-proline 0 C--O 1.256 1.432 0 C-N-CA 121.107 -0.237 . . . . 25.0 111.379 -176.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.77 135.84 22.22 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 115.995 -2.203 . . . . 25.0 112.479 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -157.83 33.39 0.26 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 113.917 -1.492 . . . . 25.0 114.442 178.165 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.521 3.111 0 C-N-CA 127.313 2.245 . . . . 25.0 116.17 -179.993 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.556 0 N-CA-C 118.407 2.123 . . . . 25.0 118.407 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.1 tt -53.04 -45.58 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.251 -1.146 . . . . 25.0 112.648 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.04 -50.14 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.162 -0.961 . . . . 25.0 113.049 176.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.98 -26.1 64.86 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.612 -1.305 . . . . 25.0 110.074 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -72.24 -38.86 68.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 122.787 1.279 . . . . 25.0 112.312 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 t -93.35 -38.3 11.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.204 1.187 . . . . 25.0 114.204 -174.252 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -62.09 -23.32 66.44 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -86.99 -5.05 59.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.923 -178.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -138.04 -178.28 5.2 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.083 -1.011 . . . . 25.0 111.158 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 mm -89.31 114.97 28.21 Favored 'Isoleucine or valine' 0 C--O 1.258 1.512 0 N-CA-C 103.566 -2.753 . . . . 25.0 103.566 169.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 113.29 10.21 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 122.085 -0.385 . . . . 25.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 136.89 53.51 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 174.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.91 -22.99 64.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 118.863 0.756 . . . . 25.0 110.924 178.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.85 -37.21 85.57 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 122.721 1.248 . . . . 25.0 109.346 174.639 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.57 -37.22 60.07 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.688 -1.142 . . . . 25.0 108.4 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.25 -40.24 95.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 124.554 1.159 . . . . 25.0 109.49 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.97 -24.86 66.42 Favored 'General case' 0 C--O 1.255 1.355 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 177.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.58 -17.37 62.3 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.931 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -78.67 -4.21 47.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.652 -0.869 . . . . 25.0 108.652 175.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.3 t -152.97 56.93 0.79 Allowed 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 -173.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 126.041 2.829 . . . . 25.0 109.995 -172.335 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -125.89 148.55 30.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 CA-C-O 122.044 0.926 . . . . 25.0 108.987 -176.162 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -84.09 113.16 20.85 Favored 'General case' 0 C--O 1.192 -1.929 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 173.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.36 154.44 40.9 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.268 1.032 . . . . 25.0 110.71 -175.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -77.9 68.25 3.92 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 123.551 1.643 . . . . 25.0 111.606 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.4 126.37 27.12 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.563 -1.335 . . . . 25.0 108.575 -175.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -137.04 -60.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 -170.145 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 -147.55 4.07 Favored Glycine 0 C--O 1.258 1.595 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 175.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -61.51 -14.85 32.68 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.13 -1.217 . . . . 25.0 112.233 -176.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -60.57 -37.29 80.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 171.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.46 -40.66 97.7 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 124.567 1.167 . . . . 25.0 110.951 -178.207 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.86 -41.25 79.63 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 122.994 1.378 . . . . 25.0 108.229 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -68.13 -38.26 82.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.392 -1.276 . . . . 25.0 112.091 -178.056 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.93 94.61 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.563 -1.335 . . . . 25.0 111.832 174.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.93 -43.48 98.68 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 115.138 -0.937 . . . . 25.0 109.502 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -46.23 89.8 Favored 'General case' 0 CA--C 1.499 -1.011 0 C-N-CA 119.358 -0.937 . . . . 25.0 109.855 177.417 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.78 -33.74 75.8 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.1 m -81.65 -32.32 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 119.751 1.159 . . . . 25.0 110.978 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.87 -49.31 12.12 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 122.302 1.049 . . . . 25.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.9 -84.71 0.68 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 121.209 -0.932 . . . . 25.0 113.919 -178.274 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -60.42 127.66 32.83 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -177.693 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 54.14 46.34 25.58 Favored 'General case' 0 C--O 1.196 -1.731 0 N-CA-C 114.069 1.137 . . . . 25.0 114.069 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.71 -168.8 10.16 Favored Glycine 0 C--O 1.214 -1.132 0 CA-C-N 115.749 -0.66 . . . . 25.0 113.296 176.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.33 -42.08 94.92 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 118.489 -1.284 . . . . 25.0 113.235 -179.221 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -153.41 147.33 25.41 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.652 -1.981 . . . . 25.0 105.652 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -147.68 105.39 3.7 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 118.842 0.746 . . . . 25.0 109.141 -175.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -132.01 112.69 14.71 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 174.705 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.37 157.58 56.36 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 116.141 -2.106 . . . . 25.0 111.195 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -119.65 -23.97 6.38 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 114.319 -1.31 . . . . 25.0 112.868 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 CA-C-N 112.749 -2.023 . . . . 25.0 110.49 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 CA-C-O 123.469 1.594 . . . . 25.0 115.95 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -58.59 -39.95 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.466 -1.608 . . . . 25.0 112.841 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -70.44 -44.61 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.381 -0.824 . . . . 25.0 111.237 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.1 -38.21 85.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.873 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -72.11 -54.55 9.43 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.097 0.475 . . . . 25.0 110.522 179.316 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.9 -23.33 63.22 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 -173.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -22.17 66.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.511 -0.875 . . . . 25.0 111.199 177.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -126.22 27.65 6.2 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.772 0.796 . . . . 25.0 109.088 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -141.98 172.31 12.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.436 0.636 . . . . 25.0 109.401 177.521 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.52 -42.05 25.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 175.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 m 49.0 57.4 6.49 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.754 0.788 . . . . 25.0 110.537 -173.062 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.36 157.1 20.66 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.921 -1.491 . . . . 25.0 110.613 -175.77 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.89 62.69 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -177.116 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.31 -36.78 84.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.725 0.774 . . . . 25.0 112.019 178.232 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -87.65 -38.74 15.63 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.666 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.57 -33.33 68.04 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -63.95 -19.62 65.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.764 -0.585 . . . . 25.0 110.504 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -66.72 -25.73 66.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 120.885 -1.135 . . . . 25.0 110.208 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -77.74 -7.71 56.93 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.878 -0.514 . . . . 25.0 110.658 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.56 8.16 27.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.538 0.685 . . . . 25.0 109.616 170.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 121.917 0.865 . . . . 25.0 110.919 177.745 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 122.159 0.98 . . . . 25.0 112.704 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.85 117.43 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 123.823 1.773 . . . . 25.0 110.591 -177.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -82.05 116.98 21.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.576 -1.328 . . . . 25.0 111.749 -178.515 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -154.69 165.12 37.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -65.95 143.99 57.05 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 120.531 -0.468 . . . . 25.0 110.645 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 147.73 29.73 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.667 0.746 . . . . 25.0 112.054 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -161.65 166.23 27.1 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.07 -141.79 47.59 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 120.072 -1.061 . . . . 25.0 111.606 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -59.73 -29.03 67.85 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.103 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -65.34 -33.72 76.63 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.24 -0.912 . . . . 25.0 109.454 -176.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.51 -52.61 51.47 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 116.118 -0.492 . . . . 25.0 109.697 -178.183 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.66 -26.7 31.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.082 -176.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.25 -41.18 67.07 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.465 -0.772 . . . . 25.0 111.526 175.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.06 94.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.712 -1.243 . . . . 25.0 108.564 177.067 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.89 -42.74 99.43 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.597 0.561 . . . . 25.0 111.421 177.551 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.54 -44.64 95.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 122.37 0.268 . . . . 25.0 111.321 178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.28 -39.81 86.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.316 1.01 . . . . 25.0 111.982 -177.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.97 -42.36 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.919 0.781 . . . . 25.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.05 77.07 0.11 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-O 121.68 0.752 . . . . 25.0 110.588 177.402 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.92 -119.37 0.13 Allowed Glycine 0 C--O 1.22 -0.748 0 N-CA-C 119.777 2.671 . . . . 25.0 119.777 178.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 60.74 25.39 15.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.206 0.817 . . . . 25.0 113.206 -176.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -114.96 2.29 14.22 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.55 0.944 . . . . 25.0 113.55 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.5 -49.15 4.19 Favored Glycine 0 C--O 1.212 -1.233 0 C-N-CA 120.313 -0.946 . . . . 25.0 115.178 176.798 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 50.53 65.87 1.33 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.39 148.43 41.58 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 -179.786 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 7.6 t80 60.6 101.99 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 117.237 2.31 . . . . 25.0 117.237 -178.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.26 106.99 6.13 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 114.361 -1.29 . . . . 25.0 108.849 174.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.03 148.67 51.36 Favored 'Trans proline' 0 C--O 1.247 0.961 0 C-N-CA 117.218 -1.388 . . . . 25.0 112.465 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -107.13 -26.21 11.21 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 114.71 -1.132 . . . . 25.0 112.018 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 124.04 1.876 . . . . 25.0 113.368 -175.138 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.378 0 N-CA-C 116.185 1.234 . . . . 25.0 116.185 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -43.37 -44.35 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.415 0 C-N-CA 125.483 1.513 . . . . 25.0 113.943 -170.444 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.5 -44.19 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -174.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.82 -40.36 75.96 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.519 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.18 -44.87 92.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.2 -32.96 19.52 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 117.748 2.499 . . . . 25.0 117.748 -176.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.6 t -66.96 -34.83 78.63 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 -176.79 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -97.75 142.71 29.19 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t 53.81 45.31 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.668 1.23 . . . . 25.0 110.559 178.091 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt 0.1 99.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.253 1.269 0 CA-C-N 112.297 -2.229 . . . . 25.0 116.5 -178.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -63.47 161.23 14.76 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 110.372 -0.233 . . . . 25.0 110.372 177.058 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.6 p -87.73 151.9 22.55 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 119.125 -0.465 . . . . 25.0 112.106 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.99 -17.39 63.29 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 119.978 1.263 . . . . 25.0 111.035 178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.93 -37.27 75.86 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.849 0.833 . . . . 25.0 110.756 176.724 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -72.75 -44.54 61.49 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.302 172.606 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 tp -57.69 -35.17 70.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.1 -31.39 71.08 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.996 174.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -18.67 64.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.854 1.206 . . . . 25.0 111.927 178.156 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -74.61 -19.59 60.24 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 119.449 -0.9 . . . . 25.0 111.495 177.716 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -158.79 98.63 1.51 Allowed 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.572 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.378 1.827 0 C-N-CA 126.201 1.8 . . . . 25.0 110.742 177.237 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 123.922 1.82 . . . . 25.0 114.256 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.58 130.13 26.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -178.5 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -80.56 107.94 13.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.403 0.621 . . . . 25.0 109.864 176.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -152.81 172.08 17.27 Favored 'General case' 0 C--O 1.253 1.246 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 -179.066 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.92 74.17 0.61 Allowed 'General case' 0 CA--C 1.558 1.285 0 O-C-N 121.223 -0.923 . . . . 25.0 112.055 175.042 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.98 121.48 14.76 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 119.981 -1.7 . . . . 25.0 108.685 178.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 -130.97 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.862 -1.063 . . . . 25.0 109.511 -171.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -31.61 104.76 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 116.476 1.351 . . . . 25.0 116.476 177.34 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.18 -44.24 0.34 Allowed 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 127.172 2.189 . . . . 25.0 116.565 -176.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -37.32 74.59 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -178.254 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.64 -49.68 67.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.014 -1.469 . . . . 25.0 113.503 175.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.77 -24.58 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 CA-C-N 120.085 1.312 . . . . 25.0 110.597 -178.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.22 -40.33 82.14 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 119.72 -0.792 . . . . 25.0 112.659 172.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.36 84.21 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.878 0.847 . . . . 25.0 111.872 175.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.88 -44.33 94.25 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-N 114.137 -1.392 . . . . 25.0 108.99 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.47 -40.7 97.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.155 -0.966 . . . . 25.0 109.879 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.2 -41.08 99.12 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.164 -176.393 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 32.6 m -80.36 -20.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.8 t -96.47 -58.09 2.15 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.63 -58.74 4.99 Favored Glycine 0 N--CA 1.47 0.927 0 O-C-N 119.995 -1.69 . . . . 25.0 112.346 -173.675 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.43 -131.27 1.02 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 -178.428 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -119.59 29.18 7.74 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 104.21 -2.515 . . . . 25.0 104.21 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 167.7 27.41 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 106.424 -2.67 . . . . 25.0 106.424 -169.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.92 -96.5 0.44 Allowed 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 119.472 1.636 . . . . 25.0 111.583 178.198 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -129.55 35.75 4.18 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-O 121.432 0.634 . . . . 25.0 110.508 175.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -147.1 152.07 37.89 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 174.219 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -125.19 117.6 25.42 Favored Pre-proline 0 C--O 1.26 1.651 0 CA-C-N 118.318 0.508 . . . . 25.0 110.768 177.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -78.44 173.24 14.05 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 115.887 -2.275 . . . . 25.0 112.576 -177.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -136.57 92.9 2.81 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 106.745 -1.576 . . . . 25.0 106.745 172.66 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 124.064 1.888 . . . . 25.0 111.607 -174.831 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.933 0 N-CA-C 117.977 1.951 . . . . 25.0 117.977 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.37 -34.23 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-O 123.186 1.47 . . . . 25.0 112.444 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.61 -54.91 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 119.038 -2.289 . . . . 25.0 110.557 177.21 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -28.88 63.12 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.586 -0.846 . . . . 25.0 109.878 -171.099 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.86 -54.59 32.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 171.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -20.51 52.58 Favored 'General case' 0 C--O 1.181 -2.538 0 C-N-CA 117.529 -1.668 . . . . 25.0 112.558 -171.71 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.37 -10.04 59.1 Favored 'General case' 0 C--O 1.26 1.652 0 O-C-N 121.154 -0.966 . . . . 25.0 112.615 -179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -119.05 -10.94 9.72 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 123.61 0.569 . . . . 25.0 111.83 179.047 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -123.6 165.28 17.44 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.053 -1.029 . . . . 25.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.47 133.24 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 103.217 -2.882 . . . . 25.0 103.217 172.225 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.73 116.01 21.9 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.807 1.289 . . . . 25.0 111.442 -177.27 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.52 34.99 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 176.471 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.26 -31.64 71.26 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.377 0.989 . . . . 25.0 109.833 177.628 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.31 -43.18 96.57 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -75.98 -38.6 57.27 Favored 'General case' 0 N--CA 1.425 -1.688 0 C-N-CA 119.86 -0.736 . . . . 25.0 112.037 178.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -33.71 75.04 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.093 -0.379 . . . . 25.0 110.118 -177.159 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.71 -17.79 65.04 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.717 1.377 . . . . 25.0 114.717 178.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -72.85 -18.63 61.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.218 -2.176 . . . . 25.0 111.545 172.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.49 -13.79 59.84 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 123.087 1.422 . . . . 25.0 109.4 175.152 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -104.8 31.29 4.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 123.711 1.72 . . . . 25.0 109.106 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--O 1.194 -1.823 0 CA-C-O 123.711 1.72 . . . . 25.0 115.322 176.436 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.193 -1.881 0 CA-C-O 121.361 0.6 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -116.63 140.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.016 -1.677 . . . . 25.0 110.863 174.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -79.08 88.35 4.82 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 110.263 -0.273 . . . . 25.0 110.263 176.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -140.46 169.36 17.8 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.07 135.78 49.61 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.021 -2.214 . . . . 25.0 105.021 172.079 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -132.13 127.04 35.12 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.782 -0.574 . . . . 25.0 109.788 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -139.67 176.38 8.78 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 35.55 -124.85 0.71 Allowed Glycine 0 C--O 1.261 1.806 0 N-CA-C 116.401 1.32 . . . . 25.0 116.401 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.2 p -66.5 -30.55 70.91 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 115.35 1.611 . . . . 25.0 115.35 -174.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -69.2 -37.85 78.31 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.375 -0.828 . . . . 25.0 110.054 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.72 -48.14 67.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.61 -26.28 23.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 118.524 -1.27 . . . . 25.0 110.129 -178.14 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -48.31 80.07 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.09 -0.644 . . . . 25.0 112.099 171.721 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.38 92.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.348 -0.842 . . . . 25.0 109.956 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.68 -28.39 69.04 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.09 -35.94 66.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 119.653 -1.904 . . . . 25.0 111.254 172.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.04 -34.56 78.29 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.112 -0.992 . . . . 25.0 109.246 -177.1 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.36 -22.8 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.85 15.18 1.55 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.651 1.352 . . . . 25.0 114.651 -171.687 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.21 -56.72 23.65 Favored Glycine 0 C--O 1.27 2.377 0 N-CA-C 120.004 2.762 . . . . 25.0 120.004 -175.371 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 39.49 -106.5 0.06 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -172.766 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -128.39 20.49 6.22 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 121.913 -0.492 . . . . 25.0 111.624 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.71 -71.23 1.3 Allowed Glycine 0 C--N 1.349 1.263 0 C-N-CA 119.83 -1.176 . . . . 25.0 112.387 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -58.81 -36.44 74.48 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 -176.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -162.16 158.55 24.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 106.654 -1.609 . . . . 25.0 106.654 -177.368 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -159.64 117.05 2.65 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.704 0.288 . . . . 25.0 111.382 179.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -142.66 89.85 8.03 Favored Pre-proline 0 C--O 1.214 -0.78 0 O-C-N 124.331 1.019 . . . . 25.0 111.13 178.377 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.03 156.38 52.05 Favored 'Trans proline' 0 C--O 1.209 -0.952 0 C-N-CA 115.962 -2.226 . . . . 25.0 110.44 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -74.04 -31.95 63.12 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.173 -0.611 . . . . 25.0 111.4 175.428 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 C--O 1.186 -2.284 0 C-N-CA 124.692 1.197 . . . . 25.0 111.746 -177.664 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -2.272 0 CA-C-O 123.454 1.586 . . . . 25.0 113.764 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -57.26 -32.74 41.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 119.092 -2.417 . . . . 25.0 113.895 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 121.294 1.861 . . . . 25.0 110.426 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.25 -28.45 68.06 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 119.205 -0.998 . . . . 25.0 111.991 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -65.51 -48.89 71.02 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 122.357 1.075 . . . . 25.0 110.784 175.466 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -78.39 -23.47 46.78 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 120.531 -1.356 . . . . 25.0 113.128 -173.21 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -73.45 -22.79 60.09 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.471 -0.768 . . . . 25.0 112.854 175.006 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -113.41 -17.42 12.25 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 114.73 1.382 . . . . 25.0 114.73 -178.607 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -141.74 158.33 43.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -74.41 131.84 34.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -178.758 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 p -118.65 161.76 19.54 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 171.165 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -146.4 -177.72 5.78 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.246 -0.909 . . . . 25.0 108.947 177.076 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.06 -36.9 66.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.33 -1.795 . . . . 25.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.31 -44.68 92.53 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 120.446 1.476 . . . . 25.0 112.52 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -73.79 -40.9 63.08 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.931 0.872 . . . . 25.0 109.108 177.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.6 -39.55 94.67 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.367 -0.833 . . . . 25.0 112.362 -172.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.23 -5.81 25.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.761 -0.776 . . . . 25.0 113.028 -179.263 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -70.28 -20.08 63.06 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 174.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -102.29 11.42 38.17 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.099 -1.001 . . . . 25.0 110.409 -178.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -3.32 58.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.067 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.188 -2.172 1 CA-C-O 129.261 4.362 . . . . 25.0 113.122 171.616 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.196 -1.759 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.93 132.87 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 CA-C-O 123.258 1.504 . . . . 25.0 109.399 176.612 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -77.0 129.22 35.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.592 -1.318 . . . . 25.0 109.238 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -147.65 175.26 11.02 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 -179.313 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -86.83 130.8 34.32 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 162.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.08 143.36 50.5 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 103.842 -2.651 . . . . 25.0 103.842 176.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -165.23 66.66 0.13 Allowed 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 122.655 1.217 . . . . 25.0 113.632 -171.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.47 -153.36 25.23 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 109.582 -1.407 . . . . 25.0 109.582 -174.309 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -59.67 -28.28 67.14 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 117.095 2.258 . . . . 25.0 117.095 -174.075 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -39.45 76.05 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.078 177.315 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.68 -52.91 25.86 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -178.089 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.2 -41.3 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 -178.344 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -69.7 -48.17 60.57 Favored 'General case' 0 N--CA 1.519 2.976 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -175.641 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.34 79.29 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.304 1.05 . . . . 25.0 111.119 176.227 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.25 -32.99 74.39 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 114.201 -1.363 . . . . 25.0 109.604 -175.421 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.38 -41.97 72.35 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.615 0.722 . . . . 25.0 111.947 173.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -58.52 -33.92 70.39 Favored 'General case' 0 C--O 1.265 1.88 0 CA-C-O 117.861 -1.066 . . . . 25.0 111.924 178.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -96.56 -43.66 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 177.56 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 14.84 14.22 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.965 -1.084 . . . . 25.0 111.918 -169.532 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 7.71 0.84 Allowed Glycine 0 C--O 1.205 -1.698 0 CA-C-O 116.26 -2.411 . . . . 25.0 116.529 -177.146 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -67.71 -29.44 68.69 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.656 1.728 . . . . 25.0 109.925 176.582 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -148.17 5.46 0.75 Allowed 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 175.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.73 -34.48 56.42 Favored Glycine 0 N--CA 1.419 -2.473 0 N-CA-C 118.706 2.242 . . . . 25.0 118.706 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -147.73 170.68 17.04 Favored 'General case' 0 C--O 1.201 -1.472 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 173.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -145.2 138.59 26.61 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 172.652 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -154.11 155.43 35.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.451 -2.426 . . . . 25.0 104.451 177.392 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 m -117.33 88.69 28.92 Favored Pre-proline 0 C--N 1.354 0.771 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.32 176.33 8.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 121.735 0.334 . . . . 25.0 111.729 -178.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -79.27 109.78 13.92 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-O 123.871 1.796 . . . . 25.0 112.984 -176.227 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 123.468 1.593 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 tt -60.13 -40.84 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 O-C-N 120.632 -1.51 . . . . 25.0 108.179 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.69 -47.25 91.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.251 -179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.64 -13.22 56.85 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 118.993 0.815 . . . . 25.0 111.776 -177.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -81.8 -42.19 20.06 Favored 'General case' 0 C--O 1.202 -1.424 0 CA-C-N 117.718 0.236 . . . . 25.0 110.968 174.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 t -84.78 -57.45 3.11 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-O 122.047 0.927 . . . . 25.0 111.274 -176.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.44 73.2 7.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.053 -1.03 . . . . 25.0 111.222 -176.122 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -158.38 -27.62 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.734 176.606 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -146.47 39.68 1.08 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 121.849 0.833 . . . . 25.0 112.445 -175.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt 66.6 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 123.832 1.777 . . . . 25.0 112.588 -178.429 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.5 128.25 35.16 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 113.777 -1.556 . . . . 25.0 108.202 174.554 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -121.81 144.73 48.65 Favored 'General case' 0 CA--C 1.485 -1.541 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 -174.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.12 -37.17 69.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.575 -1.193 . . . . 25.0 110.909 -176.537 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.38 -47.47 47.59 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.531 -0.747 . . . . 25.0 111.379 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -29.54 15.31 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.573 0.582 . . . . 25.0 112.573 -176.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -38.48 85.76 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 122.049 0.928 . . . . 25.0 113.334 177.139 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -22.34 65.5 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 121.005 -1.059 . . . . 25.0 109.928 176.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -68.17 -18.42 64.6 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.086 -1.634 . . . . 25.0 110.997 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -77.44 -0.8 27.28 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.204 177.022 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -77.8 128.58 34.23 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 121.416 0.627 . . . . 25.0 110.625 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 124.822 2.249 . . . . 25.0 112.013 174.228 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.92 133.38 66.25 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.718 0 N-CA-C 105.825 -1.916 . . . . 25.0 105.825 172.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -76.87 101.9 6.11 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -129.13 160.82 31.65 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -61.16 128.3 35.74 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.17 -0.956 . . . . 25.0 110.801 175.627 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.03 127.8 27.21 Favored 'General case' 0 C--O 1.209 -1.059 0 C-N-CA 124.46 1.104 . . . . 25.0 110.197 -178.286 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.54 164.45 37.58 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.702 0.683 . . . . 25.0 109.814 -176.564 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.28 -145.58 47.73 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 120.392 1.451 . . . . 25.0 112.147 172.029 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -57.99 -35.77 71.68 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 114.104 1.15 . . . . 25.0 114.104 179.296 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -60.47 -40.05 89.85 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.177 0.806 . . . . 25.0 113.177 -178.633 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.85 -46.88 67.35 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 123.08 1.419 . . . . 25.0 113.7 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.09 -34.03 57.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 114.526 -1.216 . . . . 25.0 109.587 -177.287 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.5 -41.04 73.16 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 122.391 1.091 . . . . 25.0 111.205 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.56 75.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.329 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.61 -41.37 98.94 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 122.431 0.292 . . . . 25.0 111.495 173.419 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.447 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 59.1 t80 -61.44 -40.44 94.47 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.114 -1.035 . . . . 25.0 113.004 175.104 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.23 -43.09 82.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.341 0.256 . . . . 25.0 110.755 -174.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.62 -32.58 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.641 0.588 . . . . 25.0 112.123 -177.056 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.22 39.57 0.01 OUTLIER 'General case' 0 CA--C 1.604 3.049 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -172.391 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 50' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -86.5 -162.97 37.79 Favored Glycine 0 C--O 1.242 0.599 0 N-CA-C 118.36 2.104 . . . . 25.0 118.36 -178.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.76 179.01 6.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.862 1.665 . . . . 25.0 114.705 -178.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.3 -16.2 64.13 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.611 1.338 . . . . 25.0 114.611 -178.671 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.78 0.0 79.08 Favored Glycine 0 C--O 1.184 -2.992 0 N-CA-C 116.376 1.31 . . . . 25.0 116.376 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.23 -11.0 59.98 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -173.708 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -140.74 135.6 31.71 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 123.866 0.867 . . . . 25.0 109.036 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -145.89 119.97 9.45 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.399 -177.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.8 p -136.04 80.45 41.72 Favored Pre-proline 0 N--CA 1.487 1.39 0 N-CA-C 117.105 2.261 . . . . 25.0 117.105 176.086 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -78.31 105.29 1.96 Allowed 'Trans proline' 0 CA--C 1.557 1.668 0 CA-C-O 122.272 0.863 . . . . 25.0 113.315 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -115.09 45.58 1.6 Allowed 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 122.89 1.329 . . . . 25.0 113.675 -173.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 O-C-N 121.313 -0.867 . . . . 25.0 111.155 176.12 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.852 0 CA-C-O 122.24 0.911 . . . . 25.0 111.111 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -33.48 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.243 172.852 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.93 -45.65 96.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 121.914 -0.491 . . . . 25.0 111.254 -177.298 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -84.81 -22.29 29.57 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.295 -177.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.6 -34.75 74.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.145 0.578 . . . . 25.0 111.02 175.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.12 -43.82 11.99 Favored 'General case' 0 C--O 1.258 1.549 0 CA-C-O 119.268 -0.396 . . . . 25.0 110.508 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -82.12 54.24 2.46 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -177.107 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -152.66 -5.65 0.21 Allowed 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.496 1.617 . . . . 25.0 109.779 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -148.41 -179.5 7.0 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.003 -1.685 . . . . 25.0 107.037 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.34 125.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 104.269 -2.493 . . . . 25.0 104.269 164.558 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.55 125.78 35.72 Favored 'General case' 0 CA--C 1.584 2.275 0 O-C-N 120.922 -1.111 . . . . 25.0 109.861 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -89.87 153.05 20.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 122.016 0.912 . . . . 25.0 108.651 -176.065 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.46 -24.97 66.51 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.395 -1.275 . . . . 25.0 107.921 174.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -66.28 -42.97 87.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 123.291 0.636 . . . . 25.0 112.601 -176.117 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.64 -31.84 28.58 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 177.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 23.0 tp -55.38 -40.67 71.62 Favored 'General case' 0 CA--C 1.564 1.511 0 O-C-N 121.189 -0.944 . . . . 25.0 112.416 172.189 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.16 -15.09 63.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 176.77 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -73.7 -23.08 59.76 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 119.846 -0.742 . . . . 25.0 109.854 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 17.8 m-85 -84.62 -2.98 58.23 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.69 0.619 . . . . 25.0 110.089 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -108.22 21.53 17.21 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.614 -176.168 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--O 1.199 -1.59 0 CA-C-O 122.91 1.338 . . . . 25.0 110.166 -177.294 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 116.018 1.859 . . . . 25.0 116.018 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.99 89.32 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 O-C-N 120.08 -1.637 . . . . 25.0 109.838 177.614 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -80.94 101.85 9.74 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 105.12 -2.178 . . . . 25.0 105.12 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -156.5 169.67 24.11 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.18 -1.575 . . . . 25.0 107.733 -168.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.5 83.4 1.49 Allowed 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 121.743 0.783 . . . . 25.0 109.113 165.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.65 121.6 24.88 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.01 -178.99 6.32 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 -176.163 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.29 -134.92 37.07 Favored Glycine 0 C--N 1.318 -0.454 0 N-CA-C 115.528 0.971 . . . . 25.0 115.528 171.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 95.3 p -77.02 -24.84 52.1 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.764 0.826 . . . . 25.0 113.127 178.382 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -64.28 -26.25 68.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 121.327 -0.858 . . . . 25.0 112.653 176.249 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.0 -53.74 18.95 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.718 -0.674 . . . . 25.0 110.225 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.56 -35.03 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 122.053 -0.404 . . . . 25.0 111.084 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -43.3 94.77 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.267 0.839 . . . . 25.0 113.267 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.85 81.71 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -179.183 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.3 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.45 -44.39 91.26 Favored 'General case' 0 C--O 1.248 0.98 0 O-C-N 120.934 -1.103 . . . . 25.0 112.838 176.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.48 -38.78 92.21 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 113.505 0.928 . . . . 25.0 113.505 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.66 -29.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.861 177.347 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -82.73 -46.7 12.85 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 119.585 -1.947 . . . . 25.0 112.517 -175.273 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.19 72.71 Favored Glycine 0 C--O 1.179 -3.3 0 O-C-N 120.998 -1.064 . . . . 25.0 113.622 -174.087 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.31 -74.65 0.34 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -171.345 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -160.18 -30.66 0.06 Allowed 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.91 168.02 11.42 Favored Glycine 0 N--CA 1.478 1.482 0 CA-C-O 118.357 -1.246 . . . . 25.0 111.958 -179.385 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -124.84 -14.82 6.62 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 124.343 0.673 . . . . 25.0 111.566 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.35 154.1 34.97 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 102.959 -2.978 . . . . 25.0 102.959 178.684 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.51 117.82 11.37 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 -178.083 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -153.27 88.95 3.68 Favored Pre-proline 0 N--CA 1.481 1.118 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.727 179.382 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.25 146.31 69.15 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.1 -2.133 . . . . 25.0 114.638 177.358 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -137.79 32.17 2.47 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.6 1.667 . . . . 25.0 111.409 170.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.986 0 CA-C-O 124.07 1.89 . . . . 25.0 115.135 -173.483 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.665 0 CA-C-O 122.518 1.065 . . . . 25.0 114.273 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 tt -52.75 -44.7 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -177.757 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.1 t -57.33 -52.55 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.09 -0.382 . . . . 25.0 111.83 176.025 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.61 -39.71 94.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.056 0.844 . . . . 25.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.78 -39.12 83.85 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 173.553 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.46 -24.25 31.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 25.0 109.86 -177.476 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -74.11 -39.06 63.63 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -176.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -86.33 151.24 23.74 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.236 -1.394 . . . . 25.0 107.236 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p 58.06 -172.92 0.09 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.827 -1.078 . . . . 25.0 110.777 -178.202 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.73 126.02 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.064 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 116.65 27.46 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.753 -1.202 . . . . 25.0 107.753 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 p -94.29 151.59 19.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -175.477 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.3 -25.25 63.24 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.101 -1.0 . . . . 25.0 108.978 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.56 -40.91 93.35 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.489 -0.757 . . . . 25.0 110.029 174.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -77.36 -37.72 51.67 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 121.736 -0.602 . . . . 25.0 111.194 177.109 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.4 -29.3 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.72 -24.05 67.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 175.184 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.53 -23.06 67.15 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 175.441 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -89.17 -8.81 52.92 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.195 -0.941 . . . . 25.0 109.122 -178.609 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.81 33.38 5.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.161 -0.927 . . . . 25.0 109.722 173.569 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.19 -2.045 0 CA-C-O 125.142 2.401 . . . . 25.0 109.742 176.045 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.843 0.83 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.56 140.17 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.701 -1.25 . . . . 25.0 108.252 174.639 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -80.63 98.92 7.88 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 175.396 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.86 -177.73 6.07 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-O 118.473 -0.775 . . . . 25.0 110.082 -174.72 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -83.77 80.32 9.18 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 176.792 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 117.68 18.15 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 -178.102 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 34.7 t -157.4 65.54 0.49 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.936 -166.894 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.93 -146.16 13.29 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -58.91 -28.85 66.6 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.0 1.4 . . . . 25.0 113.644 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -29.52 70.71 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 114.64 1.348 . . . . 25.0 114.64 176.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.75 -52.48 25.03 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.38 -23.36 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.15 -1.02 . . . . 25.0 111.861 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -71.75 -43.09 66.41 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 120.997 -1.064 . . . . 25.0 110.717 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.62 82.24 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 174.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.77 -45.16 86.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 119.371 -0.347 . . . . 25.0 111.239 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -59.19 -43.13 92.19 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-O 118.494 -0.765 . . . . 25.0 109.814 175.738 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.76 -42.27 99.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.141 -0.624 . . . . 25.0 112.293 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.44 -22.49 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 O-C-N 120.998 -1.064 . . . . 25.0 111.545 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -41.5 54.77 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 120.714 -1.241 . . . . 25.0 109.622 175.275 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.08 -75.92 0.25 Allowed Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.258 1.663 . . . . 25.0 117.258 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -149.48 1.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 117.009 2.226 . . . . 25.0 117.009 -167.622 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.8 -30.49 71.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -178.845 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.81 141.41 9.95 Favored Glycine 0 C--N 1.308 -1.02 0 N-CA-C 109.939 -1.264 . . . . 25.0 109.939 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -124.02 -7.4 7.77 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 -179.766 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -138.2 157.98 45.22 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 105.021 -2.215 . . . . 25.0 105.021 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -126.9 116.95 21.61 Favored 'General case' 0 C--O 1.248 1.003 0 O-C-N 120.517 -1.364 . . . . 25.0 108.611 174.132 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 24.9 m -132.04 103.06 14.31 Favored Pre-proline 0 CA--C 1.501 -0.927 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -69.12 145.15 59.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 C-N-CA 117.793 -1.004 . . . . 25.0 109.594 175.051 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.7 32.65 3.55 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.188 -2.16 0 O-C-N 126.603 2.439 . . . . 25.0 115.012 -177.383 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 114.256 0.462 . . . . 25.0 114.256 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 19' ' ' TYR . 8.5 tt -56.9 -36.35 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 O-C-N 120.293 -1.71 . . . . 25.0 112.09 177.128 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.33 -56.53 15.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 O-C-N 120.901 -1.125 . . . . 25.0 112.253 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.5 -25.55 68.04 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.059 -1.651 . . . . 25.0 113.236 -178.183 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -77.71 -43.94 29.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 175.709 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.43 -32.98 42.94 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.004 0.907 . . . . 25.0 113.399 -174.349 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.3 m -64.08 -13.92 50.88 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 117.011 2.226 . . . . 25.0 117.011 -178.089 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.13 1.67 11.38 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -178.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -138.8 160.26 40.13 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.75 0.786 . . . . 25.0 111.217 -176.054 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -77.2 125.08 36.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 118.028 -1.469 . . . . 25.0 107.373 176.116 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.0 m -97.36 119.96 36.84 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 115.154 1.539 . . . . 25.0 115.154 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -82.32 156.68 24.14 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' B' ' 31' ' ' PHE . 31.6 mt -67.77 -34.28 76.49 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.492 0.663 . . . . 25.0 110.488 176.006 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -52.19 -45.51 65.21 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.401 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 -48.28 14.13 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.486 -0.759 . . . . 25.0 111.485 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.74 -38.88 70.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -178.596 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.38 -19.59 65.58 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -67.14 -22.06 65.8 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 120.914 0.388 . . . . 25.0 111.873 179.867 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.423 ' CG ' HD12 ' A' ' 2' ' ' ILE . 98.8 m-85 -84.45 -6.46 59.38 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.585 177.671 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -89.2 -55.0 3.85 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.763 0.792 . . . . 25.0 110.698 177.166 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 C--O 1.19 -2.037 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 174.083 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 13' ' ' LEU . 40.4 t80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 123.049 1.404 . . . . 25.0 112.767 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.46 110.92 27.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.039 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -76.33 96.18 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.667 1.223 . . . . 25.0 109.681 173.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.68 176.58 8.55 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.114 -1.403 . . . . 25.0 111.76 -170.826 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -92.83 -29.41 15.98 Favored 'General case' 0 C--O 1.191 -2.007 0 C-N-CA 124.313 1.045 . . . . 25.0 112.631 178.806 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt 45.72 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.914 1.45 . . . . 25.0 114.914 176.313 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -124.48 112.02 16.4 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -176.18 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.37 128.84 0.31 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 115.216 0.846 . . . . 25.0 115.216 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m 58.18 -61.79 0.03 OUTLIER 'General case' 0 N--CA 1.523 3.191 0 N-CA-C 115.671 1.73 . . . . 25.0 115.671 -174.122 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.21 -31.63 72.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.197 1.799 . . . . 25.0 114.558 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.97 -57.64 11.93 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 122.072 0.939 . . . . 25.0 111.916 175.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.88 -23.97 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -70.56 -45.37 65.55 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 121.639 0.733 . . . . 25.0 111.896 176.499 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.72 74.88 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 121.692 -0.63 . . . . 25.0 110.986 172.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -43.4 81.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.665 -1.272 . . . . 25.0 111.22 177.171 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.84 -47.27 86.41 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.231 0.923 . . . . 25.0 109.862 178.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.0 -46.06 83.0 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.788 -174.848 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.14 -31.73 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.179 -1.575 . . . . 25.0 109.73 -178.045 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.68 -33.28 58.26 Favored 'General case' 0 N--CA 1.515 2.812 0 CA-C-O 123.067 1.413 . . . . 25.0 112.288 -177.896 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.86 65.25 1.99 Allowed Glycine 0 N--CA 1.44 -1.082 0 O-C-N 120.39 -1.444 . . . . 25.0 112.127 -178.623 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 66.46 -140.69 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 113.069 -1.565 . . . . 25.0 110.879 -171.335 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 62.96 17.34 9.98 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.482 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.21 166.0 30.17 Favored Glycine 0 CA--C 1.476 -2.378 0 CA-C-O 116.971 -2.016 . . . . 25.0 110.092 178.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 58.93 122.03 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 116.542 2.052 . . . . 25.0 116.542 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -68.77 130.95 44.3 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.968 -0.457 . . . . 25.0 110.533 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 126.42 16.23 Favored 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 -177.31 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.85 85.3 11.31 Favored Pre-proline 0 N--CA 1.428 -1.569 0 CA-C-O 122.007 0.908 . . . . 25.0 109.993 -175.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.62 146.25 78.69 Favored 'Trans proline' 0 CA--C 1.48 -2.221 0 CA-C-O 121.512 0.547 . . . . 25.0 110.834 175.07 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -146.08 13.57 1.28 Allowed 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.503 2.211 0 CA-C-O 124.225 1.964 . . . . 25.0 109.503 -178.972 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.204 0 CA-C-O 120.878 0.155 . . . . 25.0 113.172 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -59.22 -34.19 53.01 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.23 -55.88 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.054 0 C-N-CA 118.115 -1.434 . . . . 25.0 109.843 -174.654 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.01 -26.16 68.73 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 118.921 -0.561 . . . . 25.0 111.665 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.09 -51.74 23.37 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 118.578 0.626 . . . . 25.0 110.901 175.19 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 m -68.36 -26.03 65.37 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.62 -13.72 60.35 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.386 -1.446 . . . . 25.0 114.263 176.263 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -125.18 -18.15 5.49 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -131.08 156.34 45.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.586 1.155 . . . . 25.0 112.003 173.519 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -77.21 133.59 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -178.123 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.84 84.13 2.16 Favored 'General case' 0 C--O 1.192 -1.939 0 CA-C-O 121.15 0.5 . . . . 25.0 110.063 172.765 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -62.99 168.29 4.13 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 119.034 -0.508 . . . . 25.0 109.646 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' B' ' 31' ' ' PHE . 2.0 tt -53.8 -34.43 59.14 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 119.407 1.003 . . . . 25.0 112.295 177.566 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -53.6 -35.7 61.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 25.0 111.784 174.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -85.03 -44.35 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.57 1.176 . . . . 25.0 109.105 -178.806 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.56 -32.64 67.32 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.475 -1.693 . . . . 25.0 111.705 -175.588 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.67 -23.09 65.85 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.92 1.082 . . . . 25.0 113.92 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.39 -26.24 60.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.881 0.764 . . . . 25.0 111.625 174.512 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -81.0 -0.33 39.12 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.0 3.05 55.74 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 123.501 1.62 . . . . 25.0 110.719 171.365 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.388 2.246 0 CA-C-O 126.03 2.824 . . . . 25.0 112.279 176.106 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 33.2 t80 . . . . . 0 N--CA 1.513 2.706 0 CA-C-O 126.122 2.868 . . . . 25.0 115.989 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.67 125.59 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 CA-C-N 112.848 -1.978 . . . . 25.0 107.348 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.12 101.83 6.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 119.897 -0.721 . . . . 25.0 110.967 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.51 166.62 23.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.131 0.972 . . . . 25.0 113.405 178.095 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.73 148.26 33.11 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-O 122.843 1.306 . . . . 25.0 108.555 171.844 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -132.72 133.09 43.06 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 -177.624 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -146.68 -49.12 0.19 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -173.559 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.33 -132.09 6.46 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 120.978 -1.076 . . . . 25.0 112.668 -177.014 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -66.76 -27.18 67.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 118.516 -0.754 . . . . 25.0 111.987 -178.597 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -39.21 71.97 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 118.492 0.587 . . . . 25.0 110.215 177.748 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.06 -54.19 33.99 Favored 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.991 -1.068 . . . . 25.0 109.559 -178.23 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.98 -27.37 29.77 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.842 0 C-N-CA 118.981 -1.088 . . . . 25.0 113.674 -175.093 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.65 -52.45 51.63 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 118.284 -0.865 . . . . 25.0 112.665 168.837 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.41 90.85 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.001 1.273 . . . . 25.0 109.563 -177.559 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.87 -40.3 92.44 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 174.599 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.28 -46.97 84.32 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.352 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.43 -35.98 82.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.952 -1.099 . . . . 25.0 110.482 -175.524 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.59 -37.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 -175.545 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.53 44.13 1.51 Allowed 'General case' 0 C--O 1.25 1.079 0 C-N-CA 122.973 0.509 . . . . 25.0 112.172 -175.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.59 45.05 0.5 Allowed Glycine 0 CA--C 1.542 1.768 0 N-CA-C 119.052 2.381 . . . . 25.0 119.052 -171.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.69 -31.63 66.98 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -176.25 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -77.27 -8.99 58.52 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.324 1.05 . . . . 25.0 110.978 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -78.9 0.34 Allowed Glycine 0 C--O 1.187 -2.795 0 CA-C-O 118.043 -1.421 . . . . 25.0 115.487 174.457 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 66.82 118.1 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 123.258 1.504 . . . . 25.0 113.868 -178.692 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.9 t80 52.74 52.07 14.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 -173.28 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -103.76 124.53 49.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.453 -1.249 . . . . 25.0 110.984 177.191 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.29 81.84 5.97 Favored Pre-proline 0 C--O 1.259 1.562 0 CA-C-N 114.9 -1.045 . . . . 25.0 109.719 -179.564 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.97 159.15 50.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 115.099 -2.801 . . . . 25.0 113.626 -174.695 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -97.96 25.94 5.61 Favored 'General case' 0 C--O 1.199 -1.593 0 CA-C-O 123.056 1.408 . . . . 25.0 111.905 -176.589 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.473 0.702 0 O-C-N 120.902 -1.124 . . . . 25.0 112.341 -177.78 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.355 0 N-CA-C 116.268 1.267 . . . . 25.0 116.268 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -52.11 -45.4 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 O-C-N 121.192 -1.181 . . . . 25.0 112.393 -177.077 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.88 -59.14 2.98 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-N 118.509 0.595 . . . . 25.0 111.862 -178.277 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.08 -20.95 65.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 118.146 -0.931 . . . . 25.0 112.481 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -73.83 -38.24 64.61 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.255 0.934 . . . . 25.0 111.538 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -45.07 14.66 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 177.187 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.05 -0.14 1.49 Allowed 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.156 2.65 . . . . 25.0 118.156 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -124.34 124.37 42.24 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 176.037 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t 61.9 -178.71 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.872 0.869 . . . . 25.0 112.433 -166.255 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -91.52 119.85 39.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.65 166.64 11.4 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 176.901 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -142.92 171.37 14.14 Favored 'General case' 0 C--O 1.261 1.687 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 -171.36 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.06 -32.38 66.16 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 125.724 1.89 . . . . 25.0 111.305 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.86 -42.59 72.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.008 -1.451 . . . . 25.0 110.554 -178.898 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -85.7 -37.79 19.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -31.39 71.09 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 119.562 -0.256 . . . . 25.0 111.679 -174.135 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.06 -14.4 60.37 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 174.83 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.63 -39.53 88.59 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 174.695 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.26 -10.65 57.48 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.568 -0.708 . . . . 25.0 110.529 -176.004 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.7 m -143.37 63.93 1.35 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 121.373 0.606 . . . . 25.0 111.685 -176.375 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.558 1.171 . . . . 25.0 111.143 -179.626 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.691 1.71 . . . . 25.0 115.173 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 106.13 19.11 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 CA-C-N 114.775 -1.102 . . . . 25.0 111.622 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.35 105.72 16.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.481 177.124 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -147.78 -175.72 4.98 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.429 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -69.11 -29.33 67.38 Favored 'General case' 0 C--O 1.183 -2.408 0 O-C-N 121.863 -0.523 . . . . 25.0 111.615 177.259 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mp 53.38 80.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.394 0.616 . . . . 25.0 111.576 179.109 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.55 163.7 23.58 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.04 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.35 -142.09 42.06 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 108.374 -1.891 . . . . 25.0 108.374 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -59.11 -32.79 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 178.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -57.89 -44.97 87.05 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.994 0.809 . . . . 25.0 110.018 -177.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -57.2 -51.74 68.11 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.454 0.471 . . . . 25.0 112.231 -177.378 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.88 -29.46 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.441 0.463 . . . . 25.0 112.039 -175.367 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -75.0 -39.63 61.09 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.163 -0.96 . . . . 25.0 113.036 176.63 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.4 -32.8 70.58 Favored 'General case' 0 C--O 1.268 2.046 0 CA-C-O 118.266 -0.873 . . . . 25.0 108.672 176.185 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.65 -42.34 74.36 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 118.235 -1.386 . . . . 25.0 112.538 175.786 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.79 -45.54 67.23 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-O 122.324 1.059 . . . . 25.0 110.886 176.829 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.36 -47.79 75.22 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.302 -1.317 . . . . 25.0 112.999 -177.001 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.4 p -75.73 -29.13 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 O-C-N 123.355 0.41 . . . . 25.0 111.078 -173.173 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -48.77 13.14 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 179.031 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 25.59 39.27 Favored Glycine 0 N--CA 1.478 1.436 0 O-C-N 123.536 0.523 . . . . 25.0 113.599 175.714 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -130.86 167.35 19.08 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 123.644 0.778 . . . . 25.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.06 61.24 2.57 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.419 1.088 . . . . 25.0 109.014 176.816 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.55 -24.19 76.29 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.035 -0.826 . . . . 25.0 111.035 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -126.34 132.44 51.6 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -95.23 64.86 2.76 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 178.723 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.04 145.44 44.04 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.977 -1.01 . . . . 25.0 111.394 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.7 t -147.3 143.5 18.21 Favored Pre-proline 0 C--O 1.257 1.455 0 N-CA-C 106.843 -1.54 . . . . 25.0 106.843 175.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.93 96.03 0.92 Allowed 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 112.421 -4.586 . . . . 25.0 113.258 -178.794 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -147.58 105.17 3.69 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 121.914 0.864 . . . . 25.0 111.068 173.3 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.198 -1.628 0 CA-C-O 123.427 1.584 . . . . 25.0 113.668 -177.833 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 CA-C-O 122.961 1.312 . . . . 25.0 115.409 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.18 -37.14 60.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.074 -1.839 . . . . 25.0 112.143 173.712 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.03 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.93 -17.95 64.03 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -174.081 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -84.73 -37.47 20.86 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.218 0.821 . . . . 25.0 113.218 178.057 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.43 -25.27 14.26 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -175.008 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -88.15 43.6 1.14 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.803 1.287 . . . . 25.0 110.003 -176.183 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.95 126.25 7.29 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.39 21.86 2.57 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -173.026 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 mm 33.72 100.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 C-N-CA 127.537 2.335 . . . . 25.0 114.624 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -58.82 149.81 25.65 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.42 -1.263 . . . . 25.0 112.279 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -77.0 169.17 18.83 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.283 0.845 . . . . 25.0 113.283 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.79 -29.86 70.41 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 178.726 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.79 -41.79 67.64 Favored 'General case' 0 C--O 1.193 -1.907 0 O-C-N 121.03 -1.044 . . . . 25.0 110.085 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -89.25 -33.21 17.06 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 118.579 -1.248 . . . . 25.0 108.765 177.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.77 72.06 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -175.703 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.6 -25.98 68.48 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.889 173.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.36 -27.87 68.88 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 120.616 -1.303 . . . . 25.0 109.285 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.92 -15.52 60.17 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.234 -0.916 . . . . 25.0 109.672 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -72.59 -14.46 61.62 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.886 0.741 . . . . 25.0 109.324 175.639 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 125.369 1.468 . . . . 25.0 114.909 -177.561 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.186 -2.288 0 CA-C-O 122.427 1.108 . . . . 25.0 113.258 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.96 127.2 65.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 178.755 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.9 30.04 5.82 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.477 -0.764 . . . . 25.0 111.446 -176.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 59.25 177.57 0.08 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-N 114.017 -1.447 . . . . 25.0 113.936 -178.608 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -92.63 86.18 5.5 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -117.09 142.46 46.96 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 -177.55 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 -37.5 0.32 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.512 1.133 . . . . 25.0 113.61 -178.646 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.15 -139.2 4.65 Favored Glycine 0 C--O 1.184 -2.988 0 C-N-CA 119.484 -1.341 . . . . 25.0 113.784 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.1 p -57.16 -30.56 64.57 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 123.047 1.403 . . . . 25.0 111.509 -178.364 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -58.74 -34.87 71.87 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.325 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.73 -53.48 32.93 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 -173.889 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.87 -21.18 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 CA-C-O 121.412 0.625 . . . . 25.0 112.137 -179.728 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.58 -44.6 50.07 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.278 -1.514 . . . . 25.0 108.772 177.448 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.13 79.75 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -178.073 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.69 -43.94 87.7 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.801 0.688 . . . . 25.0 110.143 179.3 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -55.4 -45.75 76.66 Favored 'General case' 0 C--O 1.246 0.881 0 C-N-CA 119.715 -0.794 . . . . 25.0 112.312 172.747 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.12 -40.27 94.27 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.235 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.2 -24.81 11.59 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 C-N-CA 119.76 -0.776 . . . . 25.0 112.821 -177.725 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.4 m -78.04 -38.02 45.57 Favored 'General case' 0 C--O 1.256 1.413 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.351 172.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 -88.62 0.43 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.318 -0.944 . . . . 25.0 113.628 179.07 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -160.26 127.9 4.56 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 -175.066 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -148.3 -113.19 0.07 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -177.262 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.4 53.23 0.42 Allowed Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 107.61 -2.196 . . . . 25.0 107.61 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -62.19 -53.8 50.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 -172.737 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.61 132.6 20.26 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 124.191 0.932 . . . . 25.0 109.31 -177.428 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -84.63 103.09 13.44 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.524 -1.287 . . . . 25.0 107.524 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -131.23 82.85 61.69 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.219 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.54 96.32 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 120.459 0.773 . . . . 25.0 113.944 -177.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -141.2 123.65 15.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.015 0.912 . . . . 25.0 108.988 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.208 -1.105 0 CA-C-O 124.302 2.001 . . . . 25.0 113.468 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.143 0 CA-C-O 123.615 1.675 . . . . 25.0 114.439 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 19' ' ' TYR . 4.0 tt -57.78 -38.84 67.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 113.669 -1.266 . . . . 25.0 112.548 -172.217 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.77 -53.22 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 119.37 -0.932 . . . . 25.0 111.216 -174.733 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.97 -31.49 71.85 Favored 'General case' 0 C--O 1.174 -2.913 0 CA-C-O 117.893 -1.051 . . . . 25.0 110.036 178.356 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.39 -48.47 64.62 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 119.885 1.221 . . . . 25.0 113.279 173.663 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -26.9 63.28 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.331 1.062 . . . . 25.0 112.844 -177.286 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 35' ' ' HIS . 15.4 t -67.31 -30.39 70.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 120.9 -1.125 . . . . 25.0 113.281 177.909 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -96.5 -21.19 17.86 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.725 1.75 . . . . 25.0 115.725 175.558 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -146.13 131.81 18.91 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.128 -0.983 . . . . 25.0 109.608 174.552 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.84 120.49 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 119.554 1.07 . . . . 25.0 110.465 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 m -65.7 144.65 56.78 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.889 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -69.82 136.69 51.08 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 175.648 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -30.18 71.33 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.59 -0.694 . . . . 25.0 109.331 179.029 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.37 -37.63 84.06 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 119.03 -0.509 . . . . 25.0 111.699 177.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -84.47 -37.28 21.56 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.289 -0.964 . . . . 25.0 110.96 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.04 -35.42 71.3 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.11 -28.39 66.48 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 176.088 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -76.02 -11.21 59.91 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.591 -0.731 . . . . 25.0 112.122 -177.588 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' HD12 ' A' ' 2' ' ' ILE . 58.3 m-85 -83.25 -19.44 36.39 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.203 -1.777 . . . . 25.0 106.203 174.711 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -82.78 123.65 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 122.104 -0.372 . . . . 25.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 C--O 1.196 -1.744 0 CA-C-O 122.826 1.298 . . . . 25.0 112.012 -172.726 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 119.909 3.3 . . . . 25.0 119.909 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.69 119.73 55.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.704 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.933 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -119.25 10.73 12.09 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.69 -1.141 . . . . 25.0 108.374 -177.401 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 61.44 -179.29 0.12 Allowed 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.999 -1.455 . . . . 25.0 108.122 -167.288 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 35' ' ' HIS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 7' ' ' CYS . 90.7 m-70 -92.0 -56.43 3.08 Favored 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 119.87 -0.732 . . . . 25.0 112.309 -178.182 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.01 149.46 0.05 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.84 1.256 . . . . 25.0 110.695 -173.416 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.37 43.02 0.45 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.444 -1.687 . . . . 25.0 106.444 -176.014 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.58 -161.58 21.42 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 107.162 -2.375 . . . . 25.0 107.162 -176.356 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -56.25 -19.31 13.46 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 170.316 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -54.92 -27.78 45.78 Favored 'General case' 0 CA--C 1.589 2.478 0 C-N-CA 123.621 0.769 . . . . 25.0 111.076 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.3 tp -68.87 -50.35 50.55 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -67.59 -30.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.004 -1.078 . . . . 25.0 108.19 177.298 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.25 -40.75 97.22 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.175 -1.578 . . . . 25.0 109.119 178.633 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.48 -41.09 85.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 123.353 1.549 . . . . 25.0 111.023 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -37.2 81.39 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.088 -1.415 . . . . 25.0 112.697 178.243 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.68 -46.98 73.88 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.122 0.487 . . . . 25.0 112.238 173.711 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.0 -33.37 75.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.156 -0.449 . . . . 25.0 111.937 -175.128 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 12.5 p -82.05 -31.46 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 C-N-CA 119.889 -0.725 . . . . 25.0 110.986 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.26 -24.23 54.48 Favored 'General case' 0 C--O 1.192 -1.953 0 C-N-CA 119.756 -0.777 . . . . 25.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.49 -70.9 3.06 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-O 119.642 -0.532 . . . . 25.0 113.945 -179.279 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.19 4.9 0.18 Allowed 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -175.2 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -87.34 7.92 26.67 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.199 -0.938 . . . . 25.0 112.147 -175.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.16 160.79 32.92 Favored Glycine 0 C--O 1.198 -2.11 0 CA-C-O 118.411 -1.216 . . . . 25.0 112.301 177.792 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 67.76 140.05 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 127.519 2.328 . . . . 25.0 112.075 177.953 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -144.82 132.18 20.72 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 118.587 -1.245 . . . . 25.0 108.679 -176.3 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -139.81 138.28 35.69 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 124.035 0.835 . . . . 25.0 112.719 177.544 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 38.6 p -123.14 134.09 24.91 Favored Pre-proline 0 N--CA 1.483 1.222 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.913 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.7 173.95 13.35 Favored 'Trans proline' 0 CA--C 1.544 1.004 1 C-N-CA 111.79 -5.007 . . . . 25.0 111.605 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -117.19 26.65 9.62 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.532 -0.73 . . . . 25.0 109.568 176.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.197 -1.71 0 CA-C-O 124.101 1.905 . . . . 25.0 114.909 176.076 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.72 0 CA-C-O 120.219 -0.211 . . . . 25.0 113.461 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -46.29 -54.87 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.951 0 N-CA-C 115.954 1.835 . . . . 25.0 115.954 -177.69 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.92 -32.24 33.16 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 O-C-N 119.661 -1.899 . . . . 25.0 109.841 -175.84 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.64 -48.51 81.37 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 106.053 -1.832 . . . . 25.0 106.053 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -66.52 -46.47 76.08 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 121.438 -0.789 . . . . 25.0 111.621 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -72.66 -18.43 61.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 118.268 -1.373 . . . . 25.0 113.588 -174.507 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.29 -25.57 36.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 173.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -102.21 -22.26 14.21 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.615 1.339 . . . . 25.0 114.615 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -136.54 162.76 32.2 Favored 'General case' 0 C--O 1.196 -1.718 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 173.379 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -86.43 128.32 39.58 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 120.698 -1.251 . . . . 25.0 110.929 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.96 108.96 21.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 172.862 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -82.09 168.47 17.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -48.66 -45.11 38.26 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.06 -38.24 65.03 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 177.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.17 -41.33 25.51 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.178 -0.951 . . . . 25.0 112.053 176.342 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 tp -59.68 -43.78 93.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 122.48 1.133 . . . . 25.0 111.849 -175.095 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -52.83 -33.75 50.79 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 114.707 -1.133 . . . . 25.0 112.389 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -69.89 -17.88 63.38 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.97 -1.081 . . . . 25.0 112.373 -174.601 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -78.78 -12.27 60.02 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.1 m -111.5 40.16 2.17 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.312 -1.024 0 CA-C-O 127.04 3.305 . . . . 25.0 111.511 175.013 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 C--O 1.186 -2.272 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.08 129.24 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 124.524 2.107 . . . . 25.0 110.798 -178.571 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.42 118.72 21.57 Favored 'General case' 0 C--O 1.258 1.505 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 178.809 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -155.95 171.28 20.35 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.65 132.66 40.73 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.862 -1.532 . . . . 25.0 106.862 172.832 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.04 121.03 40.17 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -176.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 75.6 m -138.76 159.53 41.88 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 112.676 -2.056 . . . . 25.0 110.289 -172.811 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.2 -138.76 21.32 Favored Glycine 0 C--N 1.312 -0.798 0 CA-C-O 123.924 1.847 . . . . 25.0 113.345 -175.786 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -65.8 -32.1 73.43 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.095 -1.238 . . . . 25.0 111.35 -175.012 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -60.68 -31.62 70.87 Favored 'General case' 0 C--O 1.193 -1.907 0 CA-C-N 119.251 0.932 . . . . 25.0 111.027 -176.023 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 41' ' ' LEU . 5.3 tt -66.54 -48.16 70.57 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 179.188 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.91 -37.69 79.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.267 -0.896 . . . . 25.0 110.179 -175.116 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.41 -37.2 84.69 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.467 175.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.93 74.09 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 120.498 -1.376 . . . . 25.0 111.397 173.499 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.1 -35.86 81.64 Favored 'General case' 0 CA--C 1.559 1.29 0 O-C-N 124.582 1.176 . . . . 25.0 112.143 174.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.23 -42.99 87.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.917 0.865 . . . . 25.0 112.001 173.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.54 -39.87 92.64 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.601 -1.312 . . . . 25.0 111.925 177.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.34 -28.04 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 CA-C-O 116.226 -1.845 . . . . 25.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -33.56 58.56 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 124.686 1.242 . . . . 25.0 110.918 -178.626 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.41 -103.29 2.8 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 104.448 -3.461 . . . . 25.0 104.448 -168.461 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.41 175.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.065 1.876 . . . . 25.0 116.065 -179.167 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.19 -27.06 13.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.651 -1.159 . . . . 25.0 109.597 178.031 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.25 1.45 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -177.384 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.49 -25.64 61.49 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.565 1.682 . . . . 25.0 107.443 -177.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.72 159.25 44.65 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 -178.902 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -131.14 144.48 51.41 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 124.027 0.829 . . . . 25.0 109.025 -178.202 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.57 87.09 1.07 Allowed Pre-proline 0 C--N 1.344 0.348 0 O-C-N 123.511 0.507 . . . . 25.0 112.251 179.131 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.37 157.66 45.19 Favored 'Trans proline' 0 C--O 1.209 -0.937 1 C-N-CA 112.224 -4.718 . . . . 25.0 116.503 177.054 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.73 120.81 15.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 112.82 -1.991 . . . . 25.0 108.489 173.709 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.296 -1.757 0 CA-C-O 123.73 1.729 . . . . 25.0 111.274 177.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.971 0 CA-C-O 126.582 3.323 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 19' ' ' TYR . 17.7 tt -62.72 -31.43 52.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 O-C-N 118.823 -2.575 . . . . 25.0 111.85 -172.548 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.28 -52.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.111 -0.993 . . . . 25.0 109.951 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -65.15 -25.96 67.97 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 119.446 -0.902 . . . . 25.0 108.873 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.87 -66.19 0.58 Allowed 'General case' 0 C--O 1.204 -1.296 0 O-C-N 123.899 0.75 . . . . 25.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.19 -22.66 65.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.341 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.45 -38.05 74.43 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 119.21 0.914 . . . . 25.0 109.668 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -97.18 -52.06 3.97 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 123.994 0.809 . . . . 25.0 111.997 -177.078 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.4 m -95.13 113.39 25.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.011 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.39 122.32 7.92 Favored 'Isoleucine or valine' 0 C--O 1.261 1.681 0 CA-C-O 121.51 0.672 . . . . 25.0 110.114 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.22 159.7 15.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 174.795 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -132.03 164.17 26.81 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 -172.128 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HB2' ' CG ' ' B' ' 31' ' ' PHE . 47.2 tp -52.66 -42.57 64.83 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 117.573 -1.203 . . . . 25.0 111.474 -173.113 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.73 -46.52 74.25 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 118.609 0.64 . . . . 25.0 110.775 -178.952 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -74.88 -40.23 61.06 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 121.092 -1.005 . . . . 25.0 111.596 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.29 -42.06 90.4 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -175.836 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.7 -32.43 70.5 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -64.58 -16.02 61.99 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 121.076 -1.015 . . . . 25.0 112.606 -176.637 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 2' ' ' ILE . 72.0 m-85 -78.93 -19.64 51.29 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 25.0 112.121 177.343 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.17 28.47 5.26 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.366 -1.288 . . . . 25.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 C--N 1.394 2.501 0 CA-C-O 127.075 3.321 . . . . 25.0 112.884 174.3 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.407 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 33.6 t80 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.714 0.769 . . . . 25.0 112.536 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.8 116.83 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.547 178.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -81.0 100.7 9.1 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.363 -1.347 . . . . 25.0 107.363 -178.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -136.41 165.09 26.62 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.15 -1.594 . . . . 25.0 109.422 -178.423 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.57 67.84 1.56 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.483 1.29 . . . . 25.0 114.483 173.87 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.36 125.83 27.9 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 177.192 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -146.8 161.63 40.26 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 103.814 -2.662 . . . . 25.0 103.814 -171.026 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.96 -150.93 50.97 Favored Glycine 0 C--O 1.255 1.466 0 O-C-N 120.536 -1.352 . . . . 25.0 115.925 -178.547 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.4 p -59.86 -34.14 72.73 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.521 1.128 . . . . 25.0 112.674 174.467 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -58.15 -44.63 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 25.0 110.351 -178.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.22 -50.43 73.6 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.74 -23.01 17.54 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.396 -0.922 . . . . 25.0 110.772 -176.205 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -75.17 -36.92 61.45 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 177.85 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.8 -44.02 86.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.432 1.11 . . . . 25.0 109.739 177.2 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.44 -37.14 86.48 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.876 -1.511 . . . . 25.0 110.586 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.57 -46.31 90.43 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.49 -1.381 . . . . 25.0 114.232 173.811 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.23 -38.81 92.63 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.447 1.092 . . . . 25.0 112.066 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.58 -37.59 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 N-CA-C 114.98 1.474 . . . . 25.0 114.98 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -165.42 71.65 0.17 Allowed 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.106 -0.997 . . . . 25.0 109.897 175.698 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.07 -88.66 0.06 OUTLIER Glycine 0 CA--C 1.554 2.512 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 179.663 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 51.52 17.29 0.54 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 118.462 2.764 . . . . 25.0 118.462 175.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -125.96 -7.71 6.63 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 116.723 2.12 . . . . 25.0 116.723 -177.262 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.45 39.17 4.81 Favored Glycine 0 C--O 1.217 -0.922 0 C-N-CA 120.392 -0.908 . . . . 25.0 111.691 177.102 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -71.71 -21.8 61.72 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.998 0.899 . . . . 25.0 112.544 178.314 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 36.43 89.05 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 120.195 3.406 . . . . 25.0 120.195 170.842 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -109.75 112.69 24.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.387 1.089 . . . . 25.0 109.452 177.898 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -132.25 92.34 28.95 Favored Pre-proline 0 CA--C 1.568 1.665 0 CA-C-N 115.108 -0.951 . . . . 25.0 108.737 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.45 170.45 20.26 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.109 1.206 . . . . 25.0 113.025 -175.447 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -123.48 122.87 39.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 105.476 -2.046 . . . . 25.0 105.476 172.22 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.526 3.355 0 CA-C-O 124.908 2.29 . . . . 25.0 111.555 179.206 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 N-CA-C 115.331 0.892 . . . . 25.0 115.331 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.5 tt -67.41 -27.13 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.414 -1.639 . . . . 25.0 112.751 -178.885 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.37 -44.54 80.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 -177.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.25 -29.54 61.73 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 123.881 0.738 . . . . 25.0 112.135 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -65.1 -43.75 91.06 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.59 -55.91 5.21 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 117.81 -1.556 . . . . 25.0 109.07 -178.529 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -54.23 -46.11 72.47 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.233 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -71.61 145.63 48.87 Favored 'General case' 0 C--O 1.181 -2.525 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -173.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 50.32 -134.4 1.52 Allowed 'General case' 0 C--O 1.265 1.871 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.218 -173.772 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.99 127.77 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.895 0 C-N-CA 122.956 0.502 . . . . 25.0 111.78 -173.098 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.19 142.16 31.39 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 123.755 0.822 . . . . 25.0 110.507 174.389 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -120.68 158.44 27.44 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.68 -26.34 67.97 Favored 'General case' 0 N--CA 1.424 -1.737 0 O-C-N 124.185 0.928 . . . . 25.0 112.712 177.023 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.51 -47.56 66.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.464 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.57 -40.34 91.31 Favored 'General case' 0 C--O 1.184 -2.357 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.24 174.787 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -47.27 83.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 121.517 -0.74 . . . . 25.0 112.762 -175.8 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.17 -25.87 67.15 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 124.477 1.11 . . . . 25.0 109.238 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.15 -10.48 59.42 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.356 -0.84 . . . . 25.0 111.147 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.1 -17.96 61.95 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-O 121.674 0.749 . . . . 25.0 109.233 170.696 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.95 58.59 0.85 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.217 -0.902 . . . . 25.0 110.946 173.046 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.499 2.013 0 O-C-N 125.93 2.019 . . . . 25.0 114.762 176.78 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 123.667 1.699 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.3 137.83 55.87 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 179.334 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -85.48 123.05 30.48 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.027 175.236 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.02 176.81 8.51 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 124.889 1.276 . . . . 25.0 111.225 -171.786 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.2 54.93 1.13 Allowed 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 118.332 0.515 . . . . 25.0 111.623 175.076 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.14 120.65 19.06 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 -175.572 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 t -156.09 172.95 17.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.115 -2.18 . . . . 25.0 105.115 175.479 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.71 -135.15 47.04 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-O 122.568 1.093 . . . . 25.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 86.1 p -62.1 -34.06 75.62 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 113.132 -1.534 . . . . 25.0 112.312 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -72.2 -28.23 63.06 Favored 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.657 -175.045 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.5 -51.67 58.33 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.835 -1.078 . . . . 25.0 110.705 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -34.71 71.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 124.01 0.819 . . . . 25.0 111.4 177.849 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.9 -48.13 83.22 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.88 0.764 . . . . 25.0 111.345 177.732 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.21 91.08 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.793 178.079 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.21 -42.4 93.54 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 178.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -62.06 -41.01 97.7 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 121.85 -0.531 . . . . 25.0 110.262 175.614 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.64 -35.66 79.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 117.851 -1.071 . . . . 25.0 109.402 -177.657 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.89 -29.56 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -115.41 -31.71 5.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.182 1.549 . . . . 25.0 115.182 -171.391 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.83 -82.51 1.2 Allowed Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.465 1.346 . . . . 25.0 116.465 175.162 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 57.45 -159.88 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.83 1.652 . . . . 25.0 112.09 -176.517 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -79.33 2.88 19.89 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.839 1.304 . . . . 25.0 110.092 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.35 160.32 35.83 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 114.351 -1.295 . . . . 25.0 110.92 -172.666 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -87.1 -22.05 25.64 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.166 -1.196 . . . . 25.0 112.079 -177.877 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 t80 51.07 47.86 24.11 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 121.879 0.847 . . . . 25.0 111.671 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -147.33 131.03 16.91 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.147 -177.28 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 101.15 5.64 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 122.443 1.116 . . . . 25.0 111.002 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.56 146.18 54.56 Favored 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 117.486 -1.209 . . . . 25.0 109.817 -176.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -149.43 123.06 9.18 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.562 0.745 . . . . 25.0 109.831 178.751 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.201 -1.479 0 CA-C-O 123.564 1.65 . . . . 25.0 110.486 -176.701 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.314 0 CA-C-O 124.983 2.435 . . . . 25.0 117.341 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -56.92 -40.82 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 111.881 -2.16 . . . . 25.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.73 -52.0 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -48.92 62.51 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.447 176.466 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -62.6 -55.08 30.42 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.726 0.694 . . . . 25.0 111.948 -179.145 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -76.32 -16.84 59.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.614 1.338 . . . . 25.0 114.614 -176.316 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -86.43 -41.57 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 119.564 1.074 . . . . 25.0 111.565 178.418 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -79.2 -17.76 54.26 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -175.518 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -144.31 155.03 43.64 Favored 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.498 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.72 119.14 28.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -176.289 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.19 157.88 16.57 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.885 -1.507 . . . . 25.0 108.765 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -130.65 176.15 8.42 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 -175.339 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.12 -31.91 65.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.521 -1.362 . . . . 25.0 112.587 -176.275 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.03 -48.25 73.67 Favored 'General case' 0 CA--C 1.487 -1.466 0 C-N-CA 122.288 0.235 . . . . 25.0 111.426 177.628 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -76.57 -42.82 41.3 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 119.509 -0.877 . . . . 25.0 110.816 175.545 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.08 -35.23 78.04 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -169.798 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.49 -20.59 64.74 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 118.26 -0.876 . . . . 25.0 111.783 174.846 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.57 -22.87 66.73 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 120.645 1.566 . . . . 25.0 110.564 177.826 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -79.98 -9.86 59.72 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-O 122.723 1.249 . . . . 25.0 112.768 179.591 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -116.47 43.54 2.19 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-N 113.817 -1.538 . . . . 25.0 109.561 175.478 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 C--O 1.198 -1.633 0 CA-C-O 125.27 2.462 . . . . 25.0 112.044 175.254 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 t80 . . . . . 0 C--O 1.191 -2.017 0 CA-C-O 123.455 1.598 . . . . 25.0 113.48 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -127.19 131.46 70.64 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.483 -1.386 . . . . 25.0 114.546 173.809 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -84.78 107.52 16.99 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-N 114.771 -1.104 . . . . 25.0 112.584 -179.077 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -155.12 172.04 18.79 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 104.982 -2.229 . . . . 25.0 104.982 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -76.4 143.92 40.34 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.087 0.858 . . . . 25.0 111.786 177.235 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -125.42 92.11 3.55 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -172.846 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -97.48 -54.95 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -174.78 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.47 -90.94 0.53 Allowed Glycine 0 C--N 1.345 1.059 0 CA-C-N 113.01 -1.905 . . . . 25.0 111.126 -175.154 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.3 91.44 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 -178.668 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -59.29 -39.22 82.29 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 122.61 0.364 . . . . 25.0 110.253 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.64 -54.85 37.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.067 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.428 HG13 ' CE1' ' B' ' 54' ' ' PHE . 63.8 t -58.36 -44.13 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.452 0 CA-C-O 120.724 0.297 . . . . 25.0 111.263 -179.239 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.11 -52.26 66.11 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 124.975 1.422 . . . . 25.0 111.299 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.78 79.16 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 -173.717 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.24 -40.71 86.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.877 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -66.59 -37.03 84.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 123.704 0.628 . . . . 25.0 110.199 176.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -69.97 -30.03 67.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.323 0.51 . . . . 25.0 110.139 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.77 -50.55 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-O 121.255 0.55 . . . . 25.0 112.0 179.544 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 12.71 3.14 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 114.44 1.274 . . . . 25.0 114.44 -168.491 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.71 -58.51 10.13 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 117.037 1.575 . . . . 25.0 117.037 -167.557 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.24 -134.49 1.21 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-O 117.849 -1.072 . . . . 25.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.38 -0.23 55.01 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.556 1.169 . . . . 25.0 111.206 175.627 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.57 -27.28 67.77 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 119.234 2.454 . . . . 25.0 119.234 -174.238 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.428 ' CE1' HG13 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -71.08 -22.33 62.12 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 18.2 t80 50.13 55.54 9.29 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.678 -1.146 . . . . 25.0 111.274 -178.527 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -143.91 140.62 29.82 Favored 'General case' 0 C--O 1.197 -1.704 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 179.357 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 71.7 p -119.22 88.5 37.58 Favored Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.51 149.54 56.09 Favored 'Trans proline' 0 C--O 1.199 -1.473 0 C-N-CA 117.741 -1.039 . . . . 25.0 112.364 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.481 -1.686 0 CA-C-O 124.055 1.883 . . . . 25.0 109.769 177.337 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.887 0 CA-C-O 126.053 3.03 . . . . 25.0 114.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 19' ' ' TYR . 13.4 tt -59.42 -33.6 51.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 112.44 -1.88 . . . . 25.0 113.761 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.13 -52.0 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.68 -35.96 82.72 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -61.29 -55.7 28.85 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -44.04 90.61 Favored 'General case' 0 CA--C 1.563 1.469 0 O-C-N 122.044 -0.41 . . . . 25.0 111.507 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.76 -14.26 20.2 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.189 -0.91 . . . . 25.0 113.407 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.3 p -116.61 -20.68 9.48 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -136.27 121.18 18.71 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.428 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mm -56.25 123.78 8.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.0 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.3 112.12 17.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 124.389 1.056 . . . . 25.0 113.075 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 146.79 50.7 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.22 -38.37 68.35 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -57.18 -41.37 79.16 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.372 -0.83 . . . . 25.0 110.108 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -76.28 -42.05 46.82 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 121.479 0.657 . . . . 25.0 111.182 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.79 -38.61 91.72 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.85 -31.98 71.4 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.58 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.26 -19.71 65.57 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.162 -1.015 . . . . 25.0 112.828 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 2' ' ' ILE . 70.5 m-85 -79.18 -20.31 48.74 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 121.354 -0.841 . . . . 25.0 112.416 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -157.12 118.18 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 123.102 1.429 . . . . 25.0 110.71 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--O 1.198 -1.619 0 CA-C-O 123.718 1.723 . . . . 25.0 112.47 178.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 CA--C 1.461 -2.473 0 CA-C-O 122.254 1.026 . . . . 25.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -89.82 128.99 41.46 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 CA-C-O 124.033 1.873 . . . . 25.0 106.129 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.94 102.77 8.46 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.201 -1.818 . . . . 25.0 106.41 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -132.73 169.6 16.46 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -74.4 -27.15 60.5 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt 45.22 86.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 175.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -92.85 154.89 17.97 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.479 -0.763 . . . . 25.0 112.313 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.97 -131.19 48.49 Favored Glycine 0 CA--C 1.548 2.098 0 N-CA-C 115.772 1.069 . . . . 25.0 115.772 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.8 m -66.25 -31.26 71.96 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 123.946 0.898 . . . . 25.0 111.735 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -58.29 -35.48 71.87 Favored 'General case' 0 C--O 1.208 -1.081 0 O-C-N 121.424 -0.797 . . . . 25.0 110.918 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.01 -48.3 74.41 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.612 0.968 . . . . 25.0 113.612 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.22 -28.55 23.31 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.747 0 O-C-N 120.432 -1.418 . . . . 25.0 110.191 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.09 -46.09 68.63 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 117.241 -1.361 . . . . 25.0 108.059 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.01 86.08 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.664 1.12 . . . . 25.0 109.576 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.57 -36.16 80.4 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-O 121.284 0.564 . . . . 25.0 110.351 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.15 -40.64 90.74 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.061 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.73 -43.49 96.33 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.019 0.824 . . . . 25.0 109.592 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.21 -31.16 11.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -79.79 -38.39 33.15 Favored 'General case' 0 C--O 1.195 -1.789 0 O-C-N 121.067 -1.021 . . . . 25.0 108.436 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.48 90.93 0.36 Allowed Glycine 0 N--CA 1.423 -2.181 0 CA-C-O 121.231 0.351 . . . . 25.0 112.495 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.48 167.64 0.17 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 174.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 56.93 47.09 18.4 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 114.516 -1.22 . . . . 25.0 112.162 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 127.48 1.64 Allowed Glycine 0 CA--C 1.497 -1.06 0 N-CA-C 107.492 -2.243 . . . . 25.0 107.492 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.353 0.719 0 O-C-N 125.767 1.51 . . . . 25.0 111.336 -175.183 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 125.024 2.458 . . . . 25.0 113.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -52.65 -44.04 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 112.646 -1.777 . . . . 25.0 111.216 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.33 -52.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.876 -0.515 . . . . 25.0 111.226 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.88 -26.49 64.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.45 -0.5 . . . . 25.0 112.114 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -73.63 -39.46 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.595 -0.442 . . . . 25.0 111.199 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -32.27 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -176.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.1 m -72.19 -1.86 16.63 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 p -107.9 -5.94 16.92 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.312 0.486 . . . . 25.0 112.312 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -150.64 -170.01 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 -174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.69 138.12 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.2 m -103.73 151.52 22.92 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.98 151.16 49.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.788 0.435 . . . . 25.0 110.839 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -58.09 -36.33 72.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 25.0 112.141 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.48 -39.36 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.438 0.637 . . . . 25.0 111.378 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -87.7 -36.78 17.2 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.98 -0.45 . . . . 25.0 110.349 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.4 -38.66 71.82 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.038 0.447 . . . . 25.0 111.174 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -60.88 -24.97 66.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.35 -28.23 68.5 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.99 2.75 48.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.99 0.424 . . . . 25.0 111.327 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.93 10.49 32.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 122.349 1.071 . . . . 25.0 109.549 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 p30 . . . . . 0 C--O 1.216 -0.68 0 CA-C-O 123.725 1.726 . . . . 25.0 111.737 177.274 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.69 146.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.24 123.4 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -145.89 154.52 42.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.198 -168.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -74.6 120.69 20.5 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.21 120.54 33.47 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 48.6 t -155.26 157.31 37.07 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.94 -145.23 49.16 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 111.159 -0.777 . . . . 25.0 111.159 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p -58.55 -29.82 66.64 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 122.628 -0.336 . . . . 25.0 111.866 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.76 -32.49 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.09 -47.67 60.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.75 -39.13 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.201 0.524 . . . . 25.0 110.166 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.42 -40.41 85.53 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.917 -0.489 . . . . 25.0 111.638 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.99 91.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.58 -41.09 96.5 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.55 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -60.34 -45.21 94.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.873 0.368 . . . . 25.0 111.272 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.33 -35.08 75.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.875 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.0 -30.44 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.336 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.25 -44.36 25.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.649 -0.657 . . . . 25.0 110.66 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.48 5.13 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 116.14 1.216 . . . . 25.0 116.14 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.49 -0.17 28.41 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 50.95 33.03 8.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 116.871 2.174 . . . . 25.0 116.871 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.59 27.8 15.46 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 115.419 0.928 . . . . 25.0 115.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 116.902 2.186 . . . . 25.0 116.902 -171.108 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.71 0 CA-C-O 124.807 2.337 . . . . 25.0 112.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -45.85 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 112.452 -1.874 . . . . 25.0 111.736 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.71 -48.74 74.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 122.057 -0.402 . . . . 25.0 111.283 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.91 -35.17 79.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.994 -0.682 . . . . 25.0 110.053 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -61.16 -51.21 70.02 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 110.62 -0.141 . . . . 25.0 110.62 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -72.85 -26.46 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.03 -48.06 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.793 -0.567 . . . . 25.0 112.294 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.5 p -84.15 -38.5 20.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 25.0 112.206 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -113.21 168.77 9.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -88.71 116.62 30.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -93.74 122.84 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -71.6 156.39 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.47 -0.787 . . . . 25.0 109.764 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.42 -28.69 65.48 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 111.519 0.192 . . . . 25.0 111.519 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -64.21 -40.97 97.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.36 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -72.18 -39.91 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.885 0.374 . . . . 25.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.18 -26.43 67.71 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -70.82 -16.32 62.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.356 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -87.05 -5.83 58.92 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.607 0.241 . . . . 25.0 111.188 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.18 97.1 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 125.522 1.529 . . . . 25.0 112.79 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 122.63 1.205 . . . . 25.0 113.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.5 t -117.9 119.28 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.522 -0.736 . . . . 25.0 109.587 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -75.04 106.16 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.55 172.17 14.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 -174.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -80.07 139.68 36.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.651 -1.24 . . . . 25.0 107.651 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.7 121.65 25.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.981 0.42 . . . . 25.0 110.481 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -126.99 -159.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.44 135.03 1.67 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m 65.04 -49.55 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -63.92 -40.13 95.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.676 -0.64 . . . . 25.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -65.3 -43.37 91.29 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.493 -0.321 . . . . 25.0 110.5 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.33 -43.84 98.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -66.49 -43.51 85.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.694 0.283 . . . . 25.0 110.946 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.03 97.2 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -35.15 79.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.903 0.335 . . . . 25.0 111.903 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.8 -45.34 93.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.77 -37.26 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.36 -42.26 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.095 0.474 . . . . 25.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -40.94 24.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.72 -74.06 0.46 Allowed Glycine 0 C--O 1.221 -0.66 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.38 -34.69 68.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -168.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.26 24.49 1.6 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.84 110.67 3.7 Favored Glycine 0 C--O 1.216 -1.011 0 CA-C-O 118.927 -0.929 . . . . 25.0 111.843 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 178.085 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.984 0 CA-C-O 123.696 1.72 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.408 HD12 ' CD2' ' A' ' 19' ' ' TYR . 12.3 tt -57.42 -32.98 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 119.302 -2.293 . . . . 25.0 112.1 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.41 -46.98 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.195 -0.602 . . . . 25.0 112.029 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.53 -33.63 76.38 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -66.22 -52.53 46.97 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.83 -0.544 . . . . 25.0 110.294 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.1 m -68.41 -21.98 64.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -87.49 -43.43 12.05 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 120.873 -1.142 . . . . 25.0 113.913 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -80.45 -27.73 37.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 25.0 112.364 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -124.92 164.91 19.07 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -83.56 124.22 39.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.42 113.28 26.24 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.954 0.883 . . . . 25.0 109.822 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -76.4 157.6 32.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.598 -0.728 . . . . 25.0 111.436 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.64 -36.91 72.47 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -55.57 -46.98 77.12 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 122.359 1.076 . . . . 25.0 112.57 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -76.21 -36.65 58.5 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.827 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' CE2' ' B' ' 31' ' ' PHE . 1.0 OUTLIER -61.85 -35.93 79.73 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 122.037 -0.414 . . . . 25.0 110.03 -177.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -61.56 -26.48 67.98 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.322 -0.861 . . . . 25.0 111.597 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -18.96 64.04 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.134 -0.627 . . . . 25.0 112.307 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 2' ' ' ILE . 96.6 m-85 -81.26 -17.03 50.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.994 -0.441 . . . . 25.0 109.981 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -86.76 -12.74 47.26 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 126.08 2.848 . . . . 25.0 113.713 179.369 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD22 ' A' ' 16' ' ' LEU . 26.8 t80 . . . . . 0 C--O 1.194 -1.85 0 CA-C-O 123.389 1.566 . . . . 25.0 112.83 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.78 145.12 21.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 105.905 -1.887 . . . . 25.0 105.905 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -76.43 99.32 4.84 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 122.763 1.268 . . . . 25.0 111.961 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -133.91 175.7 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.388 -1.278 . . . . 25.0 108.346 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -77.71 111.52 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 mt -97.98 124.77 42.6 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 106.392 -1.707 . . . . 25.0 106.392 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.7 m -136.28 160.46 38.63 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 123.554 0.534 . . . . 25.0 111.151 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.13 -143.5 37.32 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.778 -0.646 . . . . 25.0 113.205 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -32.65 70.76 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.36 -33.12 73.12 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.046 -0.409 . . . . 25.0 110.579 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.92 -59.72 3.27 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.46 -31.7 53.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.924 -0.71 . . . . 25.0 110.563 -174.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -71.79 -35.78 70.11 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -41.1 88.94 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 120.905 0.383 . . . . 25.0 110.164 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.99 -42.5 97.19 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.146 -0.934 . . . . 25.0 108.698 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.985 0.422 . . . . 25.0 111.823 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.05 -41.55 98.26 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.946 -0.471 . . . . 25.0 111.852 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.75 -30.57 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -37.0 78.63 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.648 -0.657 . . . . 25.0 111.874 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.1 33.17 86.53 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.569 -1.013 . . . . 25.0 110.569 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -125.18 146.1 49.66 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.128 -0.631 . . . . 25.0 110.667 -174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -75.22 40.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.54 175.69 28.16 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.471 -0.786 . . . . 25.0 114.598 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.55 0.96 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -174.842 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.731 0 CA-C-O 123.582 1.657 . . . . 25.0 114.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -47.88 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.589 1.556 . . . . 25.0 111.862 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.25 -46.02 91.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 110.066 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.25 -42.71 99.09 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 123.253 0.346 . . . . 25.0 110.66 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.38 -50.04 69.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.53 0.519 . . . . 25.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -25.58 61.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -20.07 62.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.746 -0.382 . . . . 25.0 110.98 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 p -117.67 -22.9 7.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -107.73 165.02 11.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.91 123.58 36.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.55 -0.719 . . . . 25.0 109.573 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -79.03 154.09 29.73 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 p -149.78 151.4 33.51 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 107.405 -1.332 . . . . 25.0 107.405 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.23 -38.41 86.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.823 0.821 . . . . 25.0 110.722 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.42 -46.18 83.8 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.861 -0.608 . . . . 25.0 111.26 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.61 -38.86 67.67 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.517 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -28.92 69.65 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.77 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.795 -1.19 . . . . 25.0 110.587 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -68.94 -14.85 63.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -97.94 12.59 33.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.3 t -59.4 -30.69 68.62 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.682 0.754 . . . . 25.0 110.947 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 124.747 2.213 . . . . 25.0 111.839 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 123.195 1.474 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.78 114.19 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -79.65 90.53 5.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -148.28 179.6 7.65 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -76.14 78.86 2.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.7 134.92 49.2 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 t -152.96 167.96 27.42 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 105.243 -2.132 . . . . 25.0 105.243 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.28 -148.64 50.35 Favored Glycine 0 C--N 1.31 -0.871 0 C-N-CA 120.477 -0.868 . . . . 25.0 113.497 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -61.13 -32.21 71.91 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.671 0.748 . . . . 25.0 112.882 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -65.38 -32.83 74.67 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.1 -50.88 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.22 -30.02 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 120.544 -0.462 . . . . 25.0 110.536 -176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -48.24 75.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.37 96.86 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.15 0.976 . . . . 25.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.47 -38.73 90.68 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 121.772 -0.58 . . . . 25.0 110.713 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' B' ' 51' ' ' GLU . 31.4 t80 -57.55 -52.77 64.07 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 175.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.32 -34.15 76.06 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.473 1.108 . . . . 25.0 113.051 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.15 -46.05 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 120.699 -0.4 . . . . 25.0 110.148 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -7.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.998 2.221 . . . . 25.0 116.998 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.71 38.2 3.21 Favored Glycine 0 C--N 1.308 -1.025 0 O-C-N 121.241 -0.912 . . . . 25.0 115.162 -161.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HA ' ' CE2' ' B' ' 46' ' ' TYR . 22.3 mt-10 -61.76 -38.62 88.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 118.026 0.913 . . . . 25.0 111.549 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -88.28 -2.23 58.48 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.671 -0.643 . . . . 25.0 110.684 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.09 -29.02 10.79 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 116.043 -0.526 . . . . 25.0 113.361 -175.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.834 0 CA-C-N 118.179 0.99 . . . . 25.0 111.43 -177.667 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.065 0 N-CA-C 109.124 -1.59 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.48 -37.67 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 119.669 -2.077 . . . . 25.0 115.929 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.68 -46.41 92.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 C-N-CA 119.391 -0.924 . . . . 25.0 110.176 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.73 -43.11 98.29 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.4 -34.51 41.78 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 124.726 1.266 . . . . 25.0 111.491 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.96 -46.53 8.81 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 119.099 0.863 . . . . 25.0 112.983 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -63.56 -11.13 22.11 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p -90.22 6.46 42.71 Favored 'General case' 0 N--CA 1.437 -1.118 0 O-C-N 121.299 -0.876 . . . . 25.0 111.576 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -135.68 -178.98 5.37 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 125.207 1.403 . . . . 25.0 109.67 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.86 -33.49 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 121.103 -0.998 . . . . 25.0 111.829 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m 66.33 42.51 2.99 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 123.896 0.878 . . . . 25.0 110.492 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -62.2 159.95 13.88 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.41 -27.06 68.27 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.21 -46.67 65.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.379 -1.282 . . . . 25.0 109.03 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -80.48 -40.87 25.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.27 1.028 . . . . 25.0 110.429 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.22 -32.51 74.12 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -66.05 -25.43 67.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.584 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.71 -22.54 66.96 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.026 -1.046 . . . . 25.0 111.874 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -84.66 0.94 48.5 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.606 0.717 . . . . 25.0 110.592 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -98.88 -6.36 29.12 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 123.978 1.847 . . . . 25.0 113.284 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 m -124.52 149.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -102.03 109.39 21.09 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 107.007 -1.479 . . . . 25.0 107.007 -174.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.31 168.0 21.09 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 100.941 -3.725 . . . . 25.0 100.941 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -68.2 141.07 56.08 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.176 1.465 . . . . 25.0 111.337 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.4 123.99 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.914 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -147.4 170.86 16.47 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.94 -143.81 46.88 Favored Glycine 0 C--O 1.209 -1.434 0 C-N-CA 120.682 -0.77 . . . . 25.0 113.463 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.1 t -61.06 -32.24 71.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.601 -0.94 . . . . 25.0 112.74 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -63.23 -31.27 72.38 Favored 'General case' 0 C--O 1.181 -2.518 0 O-C-N 121.115 -0.99 . . . . 25.0 110.332 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -67.16 -44.94 78.47 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.906 -1.121 . . . . 25.0 111.093 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 m -82.17 -21.57 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.591 0 O-C-N 124.21 0.944 . . . . 25.0 109.813 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -66.58 -43.86 83.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.72 1.248 . . . . 25.0 108.967 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.29 64.46 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 119.721 -1.862 . . . . 25.0 109.293 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -41.03 93.15 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.954 0.883 . . . . 25.0 110.237 173.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.89 -41.13 91.92 Favored 'General case' 0 N--CA 1.414 -2.239 0 O-C-N 121.056 -1.027 . . . . 25.0 109.968 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.59 -40.46 92.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.53 0.566 . . . . 25.0 112.53 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.0 -34.11 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 9.75 1.29 Allowed 'General case' 0 C--O 1.279 2.615 0 N-CA-C 115.078 1.511 . . . . 25.0 115.078 -175.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.34 62.43 4.57 Favored Glycine 0 C--O 1.208 -1.525 0 C-N-CA 119.188 -1.482 . . . . 25.0 114.226 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.29 -27.83 68.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.83 1.252 . . . . 25.0 113.792 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -118.17 -16.94 9.69 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.342 0.591 . . . . 25.0 110.612 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.67 26.25 Favored Glycine 0 N--CA 1.436 -1.347 0 N-CA-C 109.092 -1.603 . . . . 25.0 109.092 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.48 1.041 0 O-C-N 122.146 -0.62 . . . . 25.0 111.723 -171.243 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 CA-C-O 124.899 2.388 . . . . 25.0 112.404 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -55.71 -32.74 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 112.628 -1.786 . . . . 25.0 112.814 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.88 -52.73 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.899 -0.501 . . . . 25.0 110.495 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -72.6 -24.52 61.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.948 0.404 . . . . 25.0 110.92 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -66.84 -39.85 87.77 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 122.229 -0.294 . . . . 25.0 110.857 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -28.95 15.23 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 115.173 1.546 . . . . 25.0 115.173 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -82.17 37.51 0.5 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.454 0.702 . . . . 25.0 112.105 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -125.91 -72.69 0.65 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -142.74 41.09 1.56 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt 68.33 107.6 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.991 1.317 . . . . 25.0 112.256 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.23 144.08 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.804 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.8 p -71.17 149.29 46.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.01 -35.75 75.74 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.833 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -56.86 -43.74 81.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.257 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -78.54 -37.96 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.917 0.389 . . . . 25.0 110.16 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.36 -39.47 83.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.822 0.344 . . . . 25.0 111.474 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.32 -20.9 66.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.83 -18.76 63.46 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.531 -0.731 . . . . 25.0 110.523 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -86.49 1.73 50.46 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.79 -11.66 61.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.899 0.856 . . . . 25.0 109.899 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 123.065 1.412 . . . . 25.0 114.802 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 123.536 1.636 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 m -98.3 55.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 122.981 1.372 . . . . 25.0 109.706 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.04 35.18 0.13 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 117.576 2.435 . . . . 25.0 117.576 -174.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 60.32 170.96 0.09 Allowed 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.74 91.96 8.79 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 84.8 mt -87.52 131.98 34.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.391 -0.822 . . . . 25.0 110.822 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 67.0 m -140.04 -71.59 0.38 Allowed 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.02 -143.63 3.73 Favored Glycine 0 N--CA 1.465 0.63 0 CA-C-N 116.388 -0.369 . . . . 25.0 113.312 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -56.09 -18.85 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.991 1.848 . . . . 25.0 115.991 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -30.95 71.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.577 -0.702 . . . . 25.0 110.292 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.05 -45.69 76.66 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -37.58 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 25.0 109.427 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.74 -43.83 92.09 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 120.364 0.126 . . . . 25.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.67 79.57 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.584 -0.697 . . . . 25.0 109.181 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.38 -32.07 71.98 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -72.7 -39.98 66.58 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.98 -31.24 72.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.708 -0.62 . . . . 25.0 110.805 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.51 -48.56 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 113.836 1.05 . . . . 25.0 113.836 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.7 m -112.07 -5.97 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -171.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.52 57.18 3.77 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 116.264 1.265 . . . . 25.0 116.264 -170.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.48 -61.84 2.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.036 0.418 . . . . 25.0 111.514 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -167.66 40.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.21 25.88 0.89 Allowed Glycine 0 C--O 1.212 -1.248 0 N-CA-C 117.279 1.671 . . . . 25.0 117.279 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 118.448 1.124 . . . . 25.0 112.973 -178.221 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.35 0 N-CA-C 115.433 0.933 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.55 -33.66 45.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.182 -1.187 . . . . 25.0 113.356 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.63 -54.24 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.496 -0.764 . . . . 25.0 110.656 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.75 -24.23 60.93 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.526 0.516 . . . . 25.0 112.01 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.81 -40.54 88.1 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.187 -0.321 . . . . 25.0 111.654 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.73 -35.94 10.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -85.96 53.88 2.94 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 122.236 1.017 . . . . 25.0 112.13 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.49 -54.96 0.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.549 -1.205 . . . . 25.0 108.554 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -125.7 18.02 8.04 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt 62.64 84.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.144 0.977 . . . . 25.0 111.924 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -64.75 136.34 56.82 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 121.602 0.715 . . . . 25.0 109.702 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -86.2 163.77 17.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 114.906 -1.043 . . . . 25.0 111.342 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.41 -28.1 58.37 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.53 -44.48 96.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.701 -1.222 . . . . 25.0 107.701 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.24 -40.92 62.08 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.774 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.76 -34.34 77.02 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.694 -0.629 . . . . 25.0 112.546 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -65.42 -21.72 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.762 -0.586 . . . . 25.0 111.518 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -65.91 -21.13 66.42 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.464 -0.772 . . . . 25.0 110.08 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.3 -0.04 57.16 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.52 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -100.45 100.61 11.4 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.077 -1.014 . . . . 25.0 109.013 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 124.381 2.039 . . . . 25.0 111.297 176.145 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 123.315 1.531 . . . . 25.0 114.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 107.05 18.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 O-C-N 120.159 -1.588 . . . . 25.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.98 100.64 2.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.057 -0.974 . . . . 25.0 112.993 173.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.03 175.74 7.51 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.47 102.98 9.07 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 121.598 0.713 . . . . 25.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.01 79.74 6.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 112.804 -1.998 . . . . 25.0 107.545 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 77.1 m -127.51 163.36 24.3 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.417 -2.438 . . . . 25.0 104.417 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.93 -142.25 47.49 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 119.267 -1.445 . . . . 25.0 110.175 172.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -65.89 -28.38 68.9 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.193 -1.181 . . . . 25.0 110.126 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -59.69 -32.17 70.25 Favored 'General case' 0 C--O 1.251 1.153 0 O-C-N 120.96 -1.088 . . . . 25.0 111.424 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.35 -52.5 58.02 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.131 0.967 . . . . 25.0 110.567 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.81 -21.52 14.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.891 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.46 -50.47 52.22 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-O 121.43 0.633 . . . . 25.0 109.642 174.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.17 96.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.015 -0.993 . . . . 25.0 110.68 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.73 -40.91 98.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.27 -43.6 94.31 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.597 0.713 . . . . 25.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.08 -36.23 83.35 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.774 -0.579 . . . . 25.0 112.301 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.7 p -87.19 -31.94 6.16 Favored 'Isoleucine or valine' 0 C--O 1.26 1.636 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.4 20.54 0.74 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 116.242 1.942 . . . . 25.0 116.242 -174.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.02 41.4 2.61 Favored Glycine 0 C--O 1.234 0.111 0 O-C-N 120.032 -1.668 . . . . 25.0 111.974 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.13 -38.02 87.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.586 0.754 . . . . 25.0 111.403 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -79.17 -28.44 42.72 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.717 0.77 . . . . 25.0 109.51 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.82 159.26 31.57 Favored Glycine 0 N--CA 1.434 -1.471 0 CA-C-N 113.807 -1.542 . . . . 25.0 111.116 -173.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 114.835 1.421 . . . . 25.0 114.835 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 N-CA-C 117.098 1.599 . . . . 25.0 117.098 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.9 tt -51.46 -41.93 27.59 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 125.475 1.338 . . . . 25.0 114.086 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.6 -56.13 12.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 O-C-N 121.674 -0.641 . . . . 25.0 110.784 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.5 -24.32 67.41 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 118.292 -0.861 . . . . 25.0 109.958 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -80.39 -42.44 22.82 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -74.63 -25.34 59.16 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.359 -1.337 . . . . 25.0 112.614 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -68.63 -18.1 64.24 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.628 -0.67 . . . . 25.0 111.27 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -117.06 10.8 14.04 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 114.925 -1.034 . . . . 25.0 112.718 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -142.49 -173.64 3.92 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 118.104 0.411 . . . . 25.0 111.396 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -89.59 -40.71 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 O-C-N 120.741 -1.225 . . . . 25.0 113.578 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.2 m 54.2 86.81 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.263 1.425 . . . . 25.0 112.299 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -65.51 167.11 9.31 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.746 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' B' ' 31' ' ' PHE . 49.3 tp -63.26 -32.26 73.62 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.381 -0.824 . . . . 25.0 111.799 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.31 1.053 . . . . 25.0 112.237 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -71.65 -44.68 63.87 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 114.947 -1.024 . . . . 25.0 110.495 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.01 -39.49 94.91 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.733 -1.187 . . . . 25.0 109.477 -173.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.19 -24.93 60.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.527 0.517 . . . . 25.0 111.059 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -71.74 -14.98 62.17 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.11 -0.994 . . . . 25.0 112.022 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 2' ' ' ILE . 54.9 m-85 -91.17 -7.77 50.53 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.315 0.646 . . . . 25.0 111.973 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 m -115.89 11.77 15.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.906 1.379 . . . . 25.0 111.354 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 CA--C 1.585 2.3 0 CA-C-O 127.993 3.759 . . . . 25.0 110.821 -178.689 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 13' ' ' LEU . 55.9 t80 . . . . . 0 N--CA 1.519 3.019 0 CA-C-O 126.091 2.853 . . . . 25.0 113.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 31.1 m -117.82 135.79 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.638 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -102.34 125.11 48.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.682 -1.145 . . . . 25.0 109.452 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -161.43 175.44 12.18 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -68.41 136.11 52.79 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.74 123.3 40.2 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 t -139.87 -58.98 0.56 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 -128.96 4.24 Favored Glycine 0 C--O 1.2 -1.972 0 CA-C-N 118.816 0.734 . . . . 25.0 111.906 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -58.45 -35.12 71.64 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.583 -1.539 . . . . 25.0 113.383 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -55.66 -35.82 66.39 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.49 -55.69 10.91 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 124.874 1.359 . . . . 25.0 112.865 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.33 -32.47 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 O-C-N 122.017 -0.427 . . . . 25.0 110.162 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.65 -48.31 75.25 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 122.161 -0.337 . . . . 25.0 110.193 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.41 80.87 Favored 'General case' 0 C--O 1.195 -1.785 0 C-N-CA 118.176 -1.409 . . . . 25.0 107.875 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.48 -41.77 90.57 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -67.61 -43.07 81.31 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 124.421 1.075 . . . . 25.0 108.729 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.04 -45.26 82.06 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 119.035 -0.507 . . . . 25.0 110.94 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.79 -28.45 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 119.014 0.825 . . . . 25.0 111.969 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -39.69 68.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.85 72.89 Favored Glycine 0 C--O 1.218 -0.876 0 O-C-N 125.254 1.596 . . . . 25.0 112.381 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.07 150.02 20.71 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.493 1.139 . . . . 25.0 112.162 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -87.14 48.81 1.7 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.938 -1.028 . . . . 25.0 111.726 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.04 -130.92 2.64 Favored Glycine 0 C--O 1.254 1.357 0 N-CA-C 108.652 -1.779 . . . . 25.0 108.652 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 115.931 1.826 . . . . 25.0 115.931 177.409 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.951 0 N-CA-C 117.505 1.762 . . . . 25.0 117.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.536 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.8 tt -47.02 -45.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 O-C-N 118.979 -2.483 . . . . 25.0 115.913 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.12 -50.24 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 121.224 -0.922 . . . . 25.0 110.832 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -32.58 71.05 Favored 'General case' 0 C--O 1.19 -2.028 0 C-N-CA 119.416 -0.914 . . . . 25.0 109.485 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -66.32 -44.76 82.49 Favored 'General case' 0 C--O 1.204 -1.313 0 O-C-N 120.091 -1.63 . . . . 25.0 110.845 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.14 -32.69 74.29 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.45 -1.406 . . . . 25.0 110.372 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -72.92 -32.74 65.51 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.956 -1.09 . . . . 25.0 111.901 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 p -92.04 -27.41 17.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 p -120.9 158.44 27.66 Favored 'General case' 0 C--N 1.373 1.61 0 O-C-N 120.74 -1.225 . . . . 25.0 108.687 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -74.68 127.09 36.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 160.85 19.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 122.684 1.23 . . . . 25.0 108.96 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -134.79 148.85 50.3 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.1 tp -58.5 -38.26 77.28 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 123.814 0.696 . . . . 25.0 111.104 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -50.93 -43.68 60.16 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 123.832 0.707 . . . . 25.0 112.385 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.8 -36.44 36.99 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.375 -0.93 . . . . 25.0 110.834 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.79 -39.58 77.87 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.38 -27.2 67.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.651 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.3 -24.66 63.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.425 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 2' ' ' ILE . 92.8 m-85 -83.07 -7.87 59.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.162 -0.926 . . . . 25.0 110.244 -176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.81 11.09 14.4 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.184 1.553 . . . . 25.0 108.326 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 124.908 2.29 . . . . 25.0 112.214 -175.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.199 -1.588 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.92 146.7 27.81 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-N 118.944 0.793 . . . . 25.0 109.716 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -91.18 136.86 32.8 Favored 'General case' 0 C--O 1.258 1.528 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.537 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -164.73 161.5 20.66 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 107.351 -1.351 . . . . 25.0 107.351 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.83 107.83 18.86 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.828 0.851 . . . . 25.0 108.83 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.29 115.84 28.08 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 m -121.84 156.91 32.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.586 -1.188 . . . . 25.0 113.604 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.58 -140.68 47.85 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 114.233 -1.349 . . . . 25.0 113.857 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -63.86 -26.18 68.49 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 124.579 0.811 . . . . 25.0 112.816 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.55 -29.44 70.7 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.945 -0.472 . . . . 25.0 111.155 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.57 -56.21 10.37 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 123.542 0.527 . . . . 25.0 110.193 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.96 -29.48 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 119.905 -0.718 . . . . 25.0 111.531 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.25 -45.06 74.22 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 120.272 -0.571 . . . . 25.0 111.713 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.8 95.53 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-O 121.838 0.828 . . . . 25.0 109.493 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -39.66 85.1 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 122.351 1.072 . . . . 25.0 109.71 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.85 -39.27 90.6 Favored 'General case' 0 C--O 1.197 -1.696 0 O-C-N 120.426 -1.421 . . . . 25.0 113.007 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.05 -39.92 96.16 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 118.255 -0.879 . . . . 25.0 111.208 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.96 -30.53 23.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 119.492 1.042 . . . . 25.0 111.517 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -65.38 -47.34 76.71 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 -17.5 3.71 Favored Glycine 0 C--N 1.306 -1.137 0 O-C-N 122.308 -0.245 . . . . 25.0 113.508 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -140.22 177.5 7.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 60.32 52.19 4.99 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.58 132.55 44.38 Favored Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.203 -0.998 . . . . 25.0 112.795 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.254 1.324 0 CA-C-N 115.392 -0.404 . . . . 25.0 111.476 -177.584 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.391 0 N-CA-C 119.402 2.521 . . . . 25.0 119.402 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -52.94 -40.99 38.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 121.032 -1.275 . . . . 25.0 114.243 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.9 -56.36 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.715 -0.794 . . . . 25.0 111.631 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -67.07 -26.84 66.94 Favored 'General case' 0 C--O 1.173 -2.925 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.805 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.84 -41.44 68.16 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 121.391 -0.818 . . . . 25.0 112.534 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 t -77.46 -46.0 23.91 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.7 m -77.0 6.9 5.51 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 117.616 2.45 . . . . 25.0 117.616 -172.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -103.09 -12.97 17.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.36 -0.536 . . . . 25.0 111.076 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -154.06 -165.27 2.06 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mm -67.61 128.46 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 103.349 -2.834 . . . . 25.0 103.349 168.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -92.52 105.41 17.59 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.53 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.4 p -74.64 153.94 38.72 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 119.206 -0.997 . . . . 25.0 110.543 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.29 -27.09 63.17 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.5 -41.39 98.79 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 120.006 -0.678 . . . . 25.0 110.892 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -70.89 -41.71 70.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.01 -37.13 81.44 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.275 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -69.04 -19.02 64.09 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 117.252 -1.356 . . . . 25.0 109.882 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -70.39 -23.33 62.74 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 120.532 1.514 . . . . 25.0 112.968 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -77.09 -10.92 59.7 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.755 -0.378 . . . . 25.0 110.334 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -105.17 22.36 15.49 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 . . . . . 0 N--CA 1.491 1.578 0 C-N-CA 128.381 2.672 . . . . 25.0 111.693 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 CA--C 1.502 -0.904 0 CA-C-O 122.282 1.039 . . . . 25.0 113.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.408 HG12 ' H ' ' B' ' 32' ' ' VAL . 2.6 p -73.59 137.36 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 CA-C-N 114.076 -1.42 . . . . 25.0 111.901 -172.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.56 128.7 36.67 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -140.34 178.06 7.56 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 119.016 -0.516 . . . . 25.0 111.17 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.91 129.11 34.36 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 104.561 -2.385 . . . . 25.0 104.561 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.87 129.79 40.83 Favored 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 104.657 -2.349 . . . . 25.0 104.657 -175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 t -157.05 171.03 21.19 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 103.907 -2.627 . . . . 25.0 103.907 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.11 -137.72 43.98 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 124.53 1.144 . . . . 25.0 113.019 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.4 p -61.41 -34.83 76.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.36 -1.671 . . . . 25.0 113.268 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.0 -35.36 78.31 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 118.752 0.705 . . . . 25.0 109.634 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.8 -51.34 69.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.864 0.84 . . . . 25.0 108.757 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.96 -38.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.051 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -58.23 -48.61 79.84 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.496 0.718 . . . . 25.0 111.722 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.42 82.89 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.328 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.97 -35.81 73.81 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 122.616 1.198 . . . . 25.0 109.321 178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -69.31 -42.43 75.42 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.97 -32.88 72.78 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.517 -1.23 . . . . 25.0 111.733 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.81 -32.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.757 0 CA-C-N 119.32 0.964 . . . . 25.0 113.214 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -148.43 7.0 0.76 Allowed 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 115.653 1.723 . . . . 25.0 115.653 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.06 30.58 1.34 Allowed Glycine 0 C--O 1.251 1.188 0 CA-C-O 118.312 -1.271 . . . . 25.0 115.715 -174.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.28 -33.23 70.82 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 118.6 1.2 . . . . 25.0 114.004 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -76.48 -18.48 58.74 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 116.64 0.38 Allowed Glycine 0 CA--C 1.541 1.685 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 CA--C 1.497 -1.067 0 CA-C-O 122.243 1.021 . . . . 25.0 108.552 177.211 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 117.634 1.814 . . . . 25.0 117.634 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -51.0 -41.87 23.01 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 CA-C-N 114.089 -1.055 . . . . 25.0 112.923 -176.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.1 -53.03 48.73 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.34 0 O-C-N 121.258 -0.901 . . . . 25.0 112.561 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.74 -20.39 59.84 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 120.982 -1.074 . . . . 25.0 112.316 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.91 -37.66 34.18 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 122.09 0.948 . . . . 25.0 110.219 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.56 -50.44 6.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.277 -1.514 . . . . 25.0 111.795 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.33 50.21 1.41 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 115.207 -0.906 . . . . 25.0 112.819 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -146.44 -5.94 0.56 Allowed 'General case' 0 C--O 1.26 1.608 0 CA-C-O 122.4 1.095 . . . . 25.0 111.46 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -151.96 179.42 8.48 Favored 'General case' 0 C--O 1.189 -2.128 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -72.22 128.28 34.99 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -95.72 104.85 16.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -76.25 151.21 36.87 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.844 0.83 . . . . 25.0 110.695 -175.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' B' ' 31' ' ' PHE . 56.4 tp -56.62 -34.81 67.61 Favored 'General case' 0 C--O 1.186 -2.268 0 CA-C-N 115.155 -0.93 . . . . 25.0 111.864 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.36 -41.99 81.19 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 121.89 -0.506 . . . . 25.0 111.817 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.65 -38.99 28.13 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -36.73 80.13 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 124.199 0.999 . . . . 25.0 110.842 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.33 -21.85 66.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.629 0.581 . . . . 25.0 109.622 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -68.79 -18.95 64.27 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.08 -1.013 . . . . 25.0 111.467 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.33 3.53 52.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 122.552 1.168 . . . . 25.0 112.987 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -85.29 -2.22 57.83 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 123.187 1.47 . . . . 25.0 109.749 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--O 1.193 -1.869 0 C-N-CA 126.212 1.805 . . . . 25.0 113.26 175.278 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 59.2 t80 . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.75 136.35 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -77.4 106.57 9.24 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.853 -1.165 . . . . 25.0 107.853 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -144.06 -177.24 5.34 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.782 -1.199 . . . . 25.0 110.819 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.3 78.79 4.76 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.23 114.25 11.2 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 122.262 1.03 . . . . 25.0 108.385 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -138.94 161.91 36.18 Favored 'General case' 0 N--CA 1.421 -1.92 0 CA-C-N 115.028 -0.987 . . . . 25.0 109.398 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.93 -142.99 44.29 Favored Glycine 0 N--CA 1.416 -2.676 0 C-N-CA 120.569 -0.824 . . . . 25.0 114.68 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -68.54 -21.75 64.54 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.638 -0.425 . . . . 25.0 111.414 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -63.24 -26.62 68.87 Favored 'General case' 0 C--O 1.191 -2.015 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.18 -49.44 56.7 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.471 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.39 -30.13 33.84 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.879 0 CA-C-N 118.382 0.537 . . . . 25.0 110.6 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.67 -50.04 66.37 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.88 94.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.76 -1.213 . . . . 25.0 107.931 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.87 -44.51 86.67 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -66.85 -39.27 87.54 Favored 'General case' 0 C--O 1.204 -1.339 0 O-C-N 121.17 -0.956 . . . . 25.0 112.295 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.62 -43.0 99.91 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-O 122.033 0.921 . . . . 25.0 113.181 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.53 -28.76 14.57 Favored 'Isoleucine or valine' 0 C--O 1.25 1.088 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.988 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 74.8 m -83.59 -46.14 12.71 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 118.614 -1.234 . . . . 25.0 110.523 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.65 27.31 73.92 Favored Glycine 0 C--N 1.312 -0.763 0 C-N-CA 119.667 -1.254 . . . . 25.0 112.187 -174.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.05 4.56 3.37 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -174.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 59.66 39.89 20.63 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 119.076 0.853 . . . . 25.0 112.243 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.96 125.63 5.43 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-N 115.102 -0.953 . . . . 25.0 113.233 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.467 0.4 0 O-C-N 118.86 -2.553 . . . . 25.0 110.044 -179.023 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.01 1 CA-C-O 128.927 4.626 . . . . 25.0 111.361 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 19' ' ' TYR . 11.4 tt -51.22 -44.62 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 1 CA-C-N 108.155 -4.023 . . . . 25.0 112.805 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.94 -48.16 87.37 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 -175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -66.54 -30.5 70.82 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.172 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.68 -48.53 54.29 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 119.869 1.213 . . . . 25.0 112.237 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 m -81.42 -25.73 35.96 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 -176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 t -71.29 -10.3 59.53 Favored 'General case' 0 C--O 1.268 2.052 0 CA-C-O 119.096 -0.478 . . . . 25.0 111.034 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -116.09 152.01 34.46 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 104.374 -2.454 . . . . 25.0 104.374 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m 51.5 -153.57 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.521 -0.737 . . . . 25.0 110.745 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -130.57 107.15 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.97 122.7 23.0 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 m -75.55 160.05 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -25.61 68.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 25.0 112.577 -176.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -63.15 -41.65 99.32 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 123.323 0.649 . . . . 25.0 110.933 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -75.91 -35.49 59.77 Favored 'General case' 0 C--O 1.195 -1.781 0 CA-C-N 115.255 -0.884 . . . . 25.0 108.855 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.28 -40.64 86.74 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.07 -28.81 55.17 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.808 -1.183 . . . . 25.0 113.61 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.37 -19.68 62.25 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.562 -1.336 . . . . 25.0 109.777 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 2' ' ' ILE . 85.6 m-85 -72.06 -23.61 61.39 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 121.346 -0.846 . . . . 25.0 112.148 173.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.25 -35.7 61.37 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 123.601 1.667 . . . . 25.0 110.069 173.72 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.505 2.289 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.18 132.27 33.37 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 O-C-N 118.978 -2.326 . . . . 25.0 113.601 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -82.24 131.43 35.23 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.27 -0.972 . . . . 25.0 110.236 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -160.69 166.87 28.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -59.08 141.48 53.95 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.892 -1.13 . . . . 25.0 111.365 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.83 98.39 5.79 Favored 'General case' 0 C--O 1.186 -2.245 0 CA-C-O 123.623 1.677 . . . . 25.0 113.408 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -126.47 -146.18 0.33 Allowed 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 114.615 -1.175 . . . . 25.0 108.892 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -29.08 123.32 0.08 OUTLIER Glycine 0 N--CA 1.486 1.99 0 N-CA-C 117.431 1.732 . . . . 25.0 117.431 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m 63.8 -51.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.463 1.653 . . . . 25.0 115.463 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -60.13 -39.73 87.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.63 -54.35 44.07 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.33 -37.86 80.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.94 -46.35 78.48 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.975 -0.453 . . . . 25.0 111.676 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.02 -42.71 89.28 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 120.696 -1.252 . . . . 25.0 108.348 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.69 -45.71 77.77 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 123.321 0.648 . . . . 25.0 110.066 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.82 -44.87 94.99 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.379 -0.826 . . . . 25.0 110.693 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.49 -33.75 76.25 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.74 -26.51 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 O-C-N 120.047 -1.658 . . . . 25.0 114.168 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 67.1 m -79.11 -56.03 4.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 120.278 -0.569 . . . . 25.0 112.337 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.3 24.79 67.76 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.01 -1.091 . . . . 25.0 115.389 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.62 -63.87 1.24 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-N 117.72 0.76 . . . . 25.0 112.151 -172.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -144.78 -32.25 0.41 Allowed 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.23 136.53 8.67 Favored Glycine 0 C--O 1.205 -1.662 0 N-CA-C 109.197 -1.561 . . . . 25.0 109.197 -170.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 C--O 1.218 -0.583 0 O-C-N 121.919 -0.754 . . . . 25.0 109.702 -176.699 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 117.101 1.6 . . . . 25.0 117.101 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.71 -35.8 57.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 124.157 0.983 . . . . 25.0 113.444 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -67.69 -52.67 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 119.527 -0.869 . . . . 25.0 111.43 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -67.81 -27.16 66.49 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.201 -0.937 . . . . 25.0 110.806 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -72.27 -47.83 47.11 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 123.635 0.584 . . . . 25.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.7 m -81.89 -18.53 43.4 Favored 'General case' 0 C--O 1.26 1.629 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -88.41 40.19 0.95 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.899 0.857 . . . . 25.0 111.77 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -133.29 -91.13 0.37 Allowed 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.101 -1.409 . . . . 25.0 107.737 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t -81.36 148.77 29.19 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 165.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.05 121.72 16.71 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 CA-C-N 119.128 0.876 . . . . 25.0 109.283 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.54 116.64 6.36 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -64.11 149.7 47.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -22.53 66.51 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 120.224 -1.548 . . . . 25.0 111.919 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -67.66 -35.42 78.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.927 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -79.47 -37.51 36.68 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.299 0.571 . . . . 25.0 111.751 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.21 -34.83 72.63 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.318 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.13 -33.55 67.49 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.818 0.847 . . . . 25.0 110.898 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.73 -22.79 63.35 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.746 -0.782 . . . . 25.0 111.48 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -73.7 -12.36 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.764 -1.21 . . . . 25.0 110.68 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.98 52.13 1.86 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.484 1.232 0 CA-C-N 112.899 -1.955 . . . . 25.0 113.206 -171.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 123.672 1.701 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.09 128.1 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.871 -1.143 . . . . 25.0 111.134 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -84.2 121.63 27.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.3 171.23 14.4 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.17 0.588 . . . . 25.0 110.436 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.86 94.53 3.91 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.16 141.68 38.05 Favored 'General case' 0 CA--C 1.49 -1.355 0 C-N-CA 119.119 -1.032 . . . . 25.0 109.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.27 -144.37 0.27 Allowed 'General case' 0 C--O 1.243 0.727 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.207 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.88 141.26 5.19 Favored Glycine 0 C--O 1.213 -1.194 0 CA-C-N 115.54 -0.755 . . . . 25.0 113.823 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t 63.94 -61.34 0.17 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.458 2.022 . . . . 25.0 116.458 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -32.49 73.59 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 119.75 -1.843 . . . . 25.0 112.07 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -67.16 -38.21 85.06 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 121.019 1.736 . . . . 25.0 108.286 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.69 -35.29 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.61 -42.95 77.41 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.8 95.76 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.268 0.94 . . . . 25.0 109.533 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 tp -58.09 -43.91 87.33 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 121.792 -0.568 . . . . 25.0 110.895 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.492 -1.25 0 O-C-N 120.867 -1.145 . . . . 25.0 111.069 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.22 -31.62 70.32 Favored 'General case' 0 C--O 1.17 -3.106 0 C-N-CA 120.313 -0.555 . . . . 25.0 111.684 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 p -85.66 -31.35 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 119.572 -1.955 . . . . 25.0 112.975 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 86.4 m -70.73 -38.55 73.58 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.267 0.556 . . . . 25.0 112.325 172.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.29 82.86 Favored Glycine 0 C--O 1.216 -1.026 0 CA-C-O 122.6 1.111 . . . . 25.0 112.457 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.49 163.48 25.25 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 121.682 -0.893 . . . . 25.0 109.291 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.92 -15.65 44.7 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 114.981 1.474 . . . . 25.0 114.981 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.22 173.21 12.95 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.022 -1.281 . . . . 25.0 111.929 -178.561 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.309 0 N-CA-C 120.453 2.941 . . . . 25.0 120.453 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tt -51.28 -32.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 119.584 -2.127 . . . . 25.0 116.183 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.79 -57.94 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.864 -1.148 . . . . 25.0 111.317 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.32 -26.11 68.34 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.685 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.44 -50.22 19.27 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.54 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.96 -21.94 59.83 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.4 m -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 123.647 0.592 . . . . 25.0 110.921 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -125.06 -11.9 7.01 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 122.263 1.03 . . . . 25.0 113.509 -172.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -140.32 168.9 18.71 Favored 'General case' 0 C--O 1.25 1.108 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -90.3 103.42 14.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 106.474 -1.676 . . . . 25.0 106.474 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 p -76.63 111.03 11.7 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 m -62.82 147.07 51.11 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.33 -39.03 44.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.151 0.581 . . . . 25.0 111.505 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -55.16 -40.09 70.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.407 0.622 . . . . 25.0 111.219 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -38.61 18.29 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.336 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.21 -46.71 72.54 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.96 -23.92 67.52 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.225 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.04 -7.7 54.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.385 -0.822 . . . . 25.0 108.908 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -83.93 -10.6 57.83 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -116.26 -162.58 0.85 Allowed 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.382 -1.711 . . . . 25.0 106.382 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.742 1.258 . . . . 25.0 111.344 171.559 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 124.712 2.196 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.53 114.1 42.52 Favored 'Isoleucine or valine' 0 C--N 1.386 2.167 0 O-C-N 120.426 -1.421 . . . . 25.0 110.783 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.08 126.52 33.16 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -163.84 168.81 19.08 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.63 145.43 55.59 Favored 'General case' 0 C--O 1.261 1.691 0 N-CA-C 105.58 -2.008 . . . . 25.0 105.58 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.31 121.84 20.66 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -158.74 165.96 33.1 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.62 79.9 0.07 OUTLIER Glycine 0 C--O 1.258 1.604 0 N-CA-C 116.676 1.43 . . . . 25.0 116.676 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m 60.21 -32.64 0.06 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 117.102 2.26 . . . . 25.0 117.102 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -61.34 -32.73 72.62 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 120.257 1.389 . . . . 25.0 112.12 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.47 -44.28 94.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 119.039 0.836 . . . . 25.0 111.872 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.35 -40.94 83.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -67.3 -41.6 85.12 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.407 -0.815 . . . . 25.0 108.881 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.77 94.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.03 -36.42 83.2 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 123.734 0.814 . . . . 25.0 110.136 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -69.18 -43.8 73.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.623 -1.298 . . . . 25.0 109.33 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.61 -39.51 80.83 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.868 -1.06 . . . . 25.0 112.693 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.7 -26.0 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 95.1 m -92.23 -26.2 18.28 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.88 29.43 63.05 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 124.342 2.079 . . . . 25.0 112.906 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 165.53 25.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.398 -1.401 . . . . 25.0 110.291 -173.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.99 -36.52 64.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.827 -2.657 . . . . 25.0 103.827 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.03 150.66 5.69 Favored Glycine 0 N--CA 1.435 -1.43 0 N-CA-C 108.258 -1.937 . . . . 25.0 108.258 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.139 0.971 . . . . 25.0 111.976 179.201 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.264 0 CA-C-O 123.814 1.785 . . . . 25.0 113.556 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tt -52.56 -46.0 48.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 CA-C-N 112.268 -1.966 . . . . 25.0 111.67 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -63.46 -45.17 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.51 -1.369 . . . . 25.0 112.026 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.01 -53.44 55.48 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.735 1.255 . . . . 25.0 113.663 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -72.7 -23.0 60.81 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 119.998 -1.689 . . . . 25.0 111.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -65.42 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -128.66 7.13 5.68 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.146 1.378 . . . . 25.0 112.673 -175.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -137.36 -173.1 3.38 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.454 -0.778 . . . . 25.0 112.189 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mm -83.37 -48.05 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 O-C-N 121.479 -0.763 . . . . 25.0 109.006 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m 50.2 69.68 0.59 Allowed 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 124.667 1.229 . . . . 25.0 110.133 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.7 m -69.15 168.23 14.48 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.223 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 HG21 ' B' ' 48' ' ' VAL . 18.5 tp -43.13 -44.42 5.01 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 114.551 1.315 . . . . 25.0 114.551 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -58.55 -38.78 78.53 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -81.21 -37.12 29.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.06 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.11 -39.42 78.62 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 122.967 1.365 . . . . 25.0 113.618 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.25 -21.08 66.28 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.038 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.4 -22.4 61.12 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -81.93 -9.82 59.47 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 120.048 -1.657 . . . . 25.0 111.474 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -93.99 50.9 1.46 Allowed 'General case' 0 C--O 1.253 1.243 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--O 1.2 -1.534 0 CA-C-O 125.169 2.414 . . . . 25.0 110.052 -178.789 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.847 1.308 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.92 114.37 27.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -82.12 106.63 14.18 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -140.92 150.97 43.85 Favored 'General case' 0 CA--C 1.482 -1.659 0 CA-C-N 120.741 1.609 . . . . 25.0 107.426 -173.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.99 141.59 56.21 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 122.439 1.114 . . . . 25.0 108.577 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.96 127.87 29.43 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.951 0.881 . . . . 25.0 109.887 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 47.1 t -140.81 -43.61 0.39 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.297 -1.502 . . . . 25.0 111.734 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 -157.31 14.05 Favored Glycine 0 N--CA 1.431 -1.641 0 O-C-N 124.097 0.873 . . . . 25.0 111.365 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -60.54 -12.14 9.04 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 119.053 1.427 . . . . 25.0 110.357 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -56.94 -32.11 65.66 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.492 -0.755 . . . . 25.0 112.512 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.44 -57.28 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.35 1.031 . . . . 25.0 112.976 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -65.1 -27.66 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.864 0 O-C-N 121.177 -0.952 . . . . 25.0 111.817 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -71.22 -37.36 72.04 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.492 0.495 . . . . 25.0 110.461 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.98 76.96 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -33.22 74.62 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-O 122.069 0.938 . . . . 25.0 112.483 175.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -68.7 -42.47 77.72 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.165 -1.584 . . . . 25.0 108.856 172.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.72 -30.4 71.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 13' ' ' LEU . 7.9 p -93.93 -39.18 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.84 23.5 4.26 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -170.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.48 68.43 3.55 Favored Glycine 0 C--O 1.217 -0.962 0 O-C-N 120.833 -1.167 . . . . 25.0 113.525 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.53 52.56 0.8 Allowed 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 58.22 34.55 24.23 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 124.362 1.065 . . . . 25.0 110.456 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.47 -29.28 7.53 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 116.412 1.325 . . . . 25.0 116.412 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 C--O 1.219 -0.548 0 O-C-N 120.154 -1.792 . . . . 25.0 110.88 -179.693 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.717 0 CA-C-O 122.924 1.291 . . . . 25.0 114.619 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -49.21 -47.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.356 -1.085 . . . . 25.0 112.49 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.62 -59.1 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.592 -0.692 . . . . 25.0 112.264 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -62.72 -26.34 68.63 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -71.56 -51.97 20.63 Favored 'General case' 0 C--O 1.191 -2.002 0 C-N-CA 119.663 -0.815 . . . . 25.0 109.509 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -76.01 -16.04 60.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 119.089 -2.257 . . . . 25.0 114.311 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.36 -23.95 60.27 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 121.424 -0.798 . . . . 25.0 111.539 172.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.26 -9.96 9.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.638 0.732 . . . . 25.0 112.067 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -134.59 164.4 27.59 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -95.23 116.49 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 106.025 -1.842 . . . . 25.0 106.025 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.5 m -92.14 109.02 20.37 Favored 'General case' 0 C--O 1.183 -2.428 0 CA-C-N 114.078 -1.419 . . . . 25.0 109.822 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -62.46 155.77 24.61 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -62.78 -29.65 70.86 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.705 -0.622 . . . . 25.0 110.889 173.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -59.02 -34.65 72.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.08 -0.509 . . . . 25.0 109.947 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -84.96 -40.08 17.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 -41.21 92.18 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 123.151 0.58 . . . . 25.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.31 -25.44 68.31 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.715 1.143 . . . . 25.0 113.546 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.09 -23.98 65.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.609 -0.682 . . . . 25.0 112.082 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.8 -19.52 61.32 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.665 -0.814 . . . . 25.0 110.575 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.98 12.55 23.55 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.195 0.998 . . . . 25.0 110.648 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--O 1.192 -1.956 0 CA-C-O 128.315 3.912 . . . . 25.0 108.266 178.597 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 N--CA 1.51 2.558 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.65 127.27 13.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 O-C-N 120.103 -1.623 . . . . 25.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -87.81 105.13 17.19 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.719 1.723 . . . . 25.0 110.169 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -142.53 163.52 32.6 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 107.745 -1.205 . . . . 25.0 107.745 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -67.14 145.65 55.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.62 104.71 8.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.92 0.488 . . . . 25.0 110.99 -173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.02 139.75 23.86 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.787 0.835 . . . . 25.0 110.811 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 87.47 0.26 Allowed Glycine 0 C--O 1.202 -1.851 0 N-CA-C 115.452 0.941 . . . . 25.0 115.452 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 61.55 -43.68 0.14 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.046 2.239 . . . . 25.0 117.046 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -39.55 69.93 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.628 1.344 . . . . 25.0 114.628 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.15 -53.9 52.86 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.45 -30.18 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 121.131 -0.981 . . . . 25.0 109.533 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.53 -48.97 75.34 Favored 'General case' 0 N--CA 1.51 2.529 0 N-CA-C 108.725 -0.843 . . . . 25.0 108.725 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.93 99.11 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.888 0.475 . . . . 25.0 110.824 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.539 0.524 . . . . 25.0 109.718 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -60.35 -44.28 95.69 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 120.932 -1.105 . . . . 25.0 112.043 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.62 -34.72 78.88 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -79.66 -29.9 13.32 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 119.382 -0.927 . . . . 25.0 109.103 -175.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.32 -51.07 40.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.422 0.451 . . . . 25.0 111.625 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.43 24.5 65.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 119.465 -1.35 . . . . 25.0 112.058 -170.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -127.38 143.98 51.13 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 118.276 1.038 . . . . 25.0 108.958 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -98.69 16.74 21.12 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.75 26.65 10.28 Favored Glycine 0 CA--C 1.541 1.688 0 O-C-N 121.232 -0.917 . . . . 25.0 113.445 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.562 1.414 0 CA-C-N 117.859 0.83 . . . . 25.0 110.444 178.28 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.597 0 CA-C-O 126.204 3.113 . . . . 25.0 115.73 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.85 -35.19 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.005 0 O-C-N 120.242 -1.74 . . . . 25.0 111.99 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.92 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.594 0 CA-C-N 114.498 -1.228 . . . . 25.0 110.114 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.29 -32.16 64.47 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.81 -38.61 64.53 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.143 -0.481 . . . . 25.0 109.706 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -40.1 9.5 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.647 0.981 . . . . 25.0 113.647 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.06 76.78 10.21 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.126 -1.609 . . . . 25.0 109.781 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.29 -40.87 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 114.722 -1.126 . . . . 25.0 112.11 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -146.9 36.83 0.95 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.28 1.038 . . . . 25.0 112.264 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt 56.59 76.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 114.341 -1.3 . . . . 25.0 110.148 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.18 148.1 45.64 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 119.558 -0.857 . . . . 25.0 112.655 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -84.96 166.2 16.97 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 118.799 -0.619 . . . . 25.0 111.356 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.94 -28.93 68.69 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.76 -38.53 78.67 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.89 -43.37 36.05 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 123.9 0.75 . . . . 25.0 110.863 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 tp -53.41 -43.1 67.68 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.86 -19.4 65.03 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 115.295 1.591 . . . . 25.0 115.295 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.06 -23.23 67.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.473 172.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.93 -7.81 57.84 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.208 0.527 . . . . 25.0 110.724 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.41 40.24 1.73 Allowed 'General case' 0 C--O 1.195 -1.809 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.378 1.816 0 C-N-CA 126.769 2.028 . . . . 25.0 114.267 179.089 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 C--O 1.196 -1.733 0 CA-C-O 121.808 0.813 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 30.9 m -91.08 161.12 2.63 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.19 146.19 42.51 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -165.81 177.99 6.84 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.58 78.41 4.09 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.16 -1.587 . . . . 25.0 110.26 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.94 119.99 14.99 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.557 -0.714 . . . . 25.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.34 168.16 21.15 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.01 -133.47 12.33 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 124.121 1.956 . . . . 25.0 114.157 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -33.3 75.48 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.863 -1.375 . . . . 25.0 114.063 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -62.62 -33.95 76.04 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -46.59 82.64 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 119.664 1.12 . . . . 25.0 109.383 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.94 -37.93 81.48 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -67.21 -50.81 59.43 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 124.945 1.403 . . . . 25.0 109.309 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.205 -1.28 0 O-C-N 121.379 -0.825 . . . . 25.0 111.146 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.07 -37.31 83.79 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.756 1.265 . . . . 25.0 111.913 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.91 -48.04 80.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.61 -42.3 99.5 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.13 -35.06 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 118.472 -0.775 . . . . 25.0 111.282 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 90.2 m -77.45 -48.58 16.78 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.598 0.561 . . . . 25.0 110.757 175.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.34 -45.9 2.41 Favored Glycine 0 C--N 1.299 -1.481 0 C-N-CA 120.94 -0.648 . . . . 25.0 111.893 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.84 69.31 0.68 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.326 1.563 . . . . 25.0 112.583 -176.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.59 45.95 23.83 Favored 'General case' 0 C--O 1.193 -1.9 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.57 -29.15 53.29 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 116.746 1.459 . . . . 25.0 116.746 -170.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 107.588 -1.264 . . . . 25.0 107.588 179.133 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.647 0 CA-C-O 124.043 1.913 . . . . 25.0 113.808 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' TYR . 9.3 tt -51.98 -41.11 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 112.09 -2.055 . . . . 25.0 111.174 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.84 -62.06 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 CA-C-O 118.507 -0.759 . . . . 25.0 109.522 -175.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.64 -25.1 66.05 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 119.462 -0.895 . . . . 25.0 110.617 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -70.47 -55.37 9.13 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.519 -0.753 . . . . 25.0 109.422 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -71.82 -16.98 62.18 Favored 'General case' 0 CA--C 1.562 1.426 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -177.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -73.92 -24.99 59.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 119.335 -0.364 . . . . 25.0 110.388 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -115.07 -30.56 6.32 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 m -107.42 165.67 11.23 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.221 -1.549 . . . . 25.0 110.339 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -89.05 104.8 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 105.041 -2.207 . . . . 25.0 105.041 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.2 m -74.19 115.66 13.95 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -67.46 154.34 41.61 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' B' ' 31' ' ' PHE . 69.8 mt -68.74 -28.45 66.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.99 -44.88 94.23 Favored 'General case' 0 C--O 1.194 -1.863 0 O-C-N 125.002 1.439 . . . . 25.0 108.872 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -74.42 -34.51 63.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 121.485 -0.759 . . . . 25.0 109.386 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.77 -38.46 81.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 118.361 0.528 . . . . 25.0 110.328 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -59.43 -24.13 63.25 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 114.353 1.242 . . . . 25.0 114.353 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.05 -20.82 60.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 124.29 1.995 . . . . 25.0 111.828 -175.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 2' ' ' ILE . 39.9 m-85 -80.19 -4.3 52.51 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.368 -1.287 . . . . 25.0 110.487 172.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -114.58 36.91 3.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.947 1.356 . . . . 25.0 111.128 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.209 -1.027 0 C-N-CA 124.852 1.261 . . . . 25.0 112.929 -171.314 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 42.7 t80 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.9 142.54 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 119.266 -2.146 . . . . 25.0 112.07 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.5 103.99 16.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.007 -1.077 . . . . 25.0 110.232 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.4 171.7 15.07 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.794 -0.567 . . . . 25.0 110.443 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.9 148.96 48.34 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.62 115.76 22.0 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 123.242 0.617 . . . . 25.0 109.52 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -131.06 -54.94 1.05 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.16 1.911 . . . . 25.0 116.16 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.91 -142.71 4.64 Favored Glycine 0 C--N 1.346 1.097 0 C-N-CA 119.196 -1.478 . . . . 25.0 112.128 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -52.71 -24.35 8.46 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 118.077 0.939 . . . . 25.0 113.428 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -57.87 -24.05 55.81 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.22 -58.26 3.98 Favored 'General case' 0 C--O 1.187 -2.199 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.52 -29.65 47.21 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.8 0 CA-C-O 121.053 0.454 . . . . 25.0 109.943 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.75 -46.86 77.25 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 122.395 1.093 . . . . 25.0 110.853 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.03 87.78 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.47 -0.769 . . . . 25.0 109.171 173.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -35.75 74.98 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 121.9 0.857 . . . . 25.0 112.364 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -69.68 -41.0 76.05 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.243 -0.89 . . . . 25.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.2 -39.49 89.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.177 -1.392 . . . . 25.0 110.76 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.07 -34.48 10.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.735 0 CA-C-N 119.719 1.145 . . . . 25.0 113.477 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -120.33 -17.07 8.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.927 1.454 . . . . 25.0 114.927 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.22 56.92 4.04 Favored Glycine 0 C--O 1.202 -1.851 0 C-N-CA 119.162 -1.494 . . . . 25.0 115.608 -169.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.48 -44.98 85.35 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.91 0.355 . . . . 25.0 110.289 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -87.58 -4.5 58.96 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 123.038 1.399 . . . . 25.0 110.393 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.96 148.79 18.8 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 114.859 -1.064 . . . . 25.0 110.983 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.255 1.364 0 CA-C-O 121.254 0.55 . . . . 25.0 111.986 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.284 0 N-CA-C 116.693 1.437 . . . . 25.0 116.693 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -60.65 -31.76 49.97 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.407 -0.896 . . . . 25.0 111.663 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.27 -48.69 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 119.465 -0.894 . . . . 25.0 110.612 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.95 -37.04 85.96 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -69.39 -33.75 73.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -21.32 13.89 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.347 1.24 . . . . 25.0 114.347 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.08 -22.98 63.97 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.018 -1.051 . . . . 25.0 109.816 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.7 p -105.21 149.21 26.14 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m 59.11 176.73 0.07 Allowed 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mm -91.6 129.17 42.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.66 146.02 38.42 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 119.311 -0.376 . . . . 25.0 111.069 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -122.28 134.33 54.67 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.83 -32.66 73.91 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.096 -0.641 . . . . 25.0 110.211 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -52.82 -54.07 39.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 123.993 0.808 . . . . 25.0 109.519 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.17 -39.87 93.53 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.61 -0.681 . . . . 25.0 111.096 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.13 -40.72 98.4 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.23 -23.38 65.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.44 -16.43 62.38 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 118.106 -0.95 . . . . 25.0 110.745 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.31 -14.06 60.47 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.8 t -107.51 -59.55 1.81 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 123.899 1.809 . . . . 25.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 124.36 2.029 . . . . 25.0 109.521 -176.554 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.196 -1.745 0 CA-C-O 121.688 0.756 . . . . 25.0 112.566 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.77 140.18 46.55 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 C-N-CA 124.183 0.993 . . . . 25.0 108.854 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.07 97.4 10.71 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.37 175.27 12.41 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 122.969 1.366 . . . . 25.0 107.699 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -75.84 146.76 39.63 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 105.796 -1.927 . . . . 25.0 105.796 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.95 125.51 44.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.56 167.0 31.8 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 -176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.83 -150.12 48.64 Favored Glycine 0 C--O 1.21 -1.357 0 N-CA-C 108.93 -1.668 . . . . 25.0 108.93 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 -35.56 80.78 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.422 0.719 . . . . 25.0 112.518 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.41 -35.61 74.3 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 117.777 -1.106 . . . . 25.0 113.232 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.35 -53.01 62.38 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.729 0.643 . . . . 25.0 111.968 172.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.72 -22.66 16.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.952 0 O-C-N 121.174 -0.953 . . . . 25.0 110.06 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -75.92 -40.27 54.58 Favored 'General case' 0 C--O 1.185 -2.302 0 CA-C-N 115.114 -0.948 . . . . 25.0 111.103 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.7 95.89 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.749 -0.595 . . . . 25.0 111.879 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.13 -40.85 98.79 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 124.114 0.883 . . . . 25.0 111.447 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.16 -40.57 94.52 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.952 -1.023 . . . . 25.0 110.817 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.41 -43.77 98.3 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.673 0.669 . . . . 25.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.34 -22.58 14.37 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 117.403 -1.719 . . . . 25.0 114.74 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 24.5 t -95.57 -45.0 7.24 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.47 -3.44 82.1 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 120.464 -1.398 . . . . 25.0 114.284 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 132.34 42.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 121.291 -1.123 . . . . 25.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -83.24 -13.19 55.83 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 121.658 0.742 . . . . 25.0 110.838 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.0 42.21 3.09 Favored Glycine 0 C--O 1.207 -1.543 0 N-CA-C 115.313 0.885 . . . . 25.0 115.313 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.319 -0.756 0 O-C-N 121.066 -1.255 . . . . 25.0 111.203 179.65 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 123.863 1.813 . . . . 25.0 115.997 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.413 HD12 ' CG ' ' A' ' 19' ' ' TYR . 12.0 tt -47.6 -47.6 10.88 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.621 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.21 -47.13 82.48 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 C-N-CA 119.598 -0.841 . . . . 25.0 111.312 -173.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -69.45 -35.28 75.51 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 118.133 -0.937 . . . . 25.0 108.842 -175.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.48 -46.2 67.21 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 120.202 1.364 . . . . 25.0 110.118 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -77.59 -13.73 59.83 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 119.859 1.209 . . . . 25.0 113.625 -175.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -84.56 -13.92 50.37 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.82 -6.46 7.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.735 -176.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -142.6 169.19 18.03 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.44 0.638 . . . . 25.0 109.676 175.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.46 93.06 4.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 123.18 1.467 . . . . 25.0 109.664 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.06 129.23 37.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.313 -1.365 . . . . 25.0 107.313 177.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -93.13 168.34 11.18 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 31' ' ' PHE . 8.2 tt -62.68 -32.89 74.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 118.691 0.678 . . . . 25.0 109.176 175.065 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -55.82 -39.41 71.34 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.117 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -90.41 -35.99 14.85 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 120.803 -1.186 . . . . 25.0 111.204 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.13 -29.87 70.63 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 115.975 -0.557 . . . . 25.0 112.231 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.08 -25.31 58.52 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 114.186 1.18 . . . . 25.0 114.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.24 -22.81 65.67 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.748 -1.22 . . . . 25.0 110.09 -178.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CG ' HD12 ' A' ' 2' ' ' ILE . 51.9 m-85 -82.69 -2.27 53.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.515 0.509 . . . . 25.0 109.783 176.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.63 43.84 1.97 Allowed 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 125.594 2.616 . . . . 25.0 113.741 -178.509 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.405 ' CD1' HD12 ' A' ' 13' ' ' LEU . 73.3 t80 . . . . . 0 C--O 1.186 -2.261 0 CA-C-O 124.726 2.203 . . . . 25.0 112.001 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.27 114.02 44.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 119.335 -2.103 . . . . 25.0 109.784 176.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.73 137.37 39.3 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -159.36 169.02 24.91 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.039 -171.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -72.15 144.75 48.48 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 -178.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.27 94.76 2.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.663 -175.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 t -130.89 161.12 32.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 173.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.7 -144.34 46.81 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 124.024 0.827 . . . . 25.0 113.09 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -65.35 -26.47 68.04 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.312 -1.444 . . . . 25.0 111.529 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -38.27 72.35 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.617 -0.833 . . . . 25.0 111.171 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.71 -42.21 97.98 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 118.788 -0.625 . . . . 25.0 111.293 -179.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -71.83 -36.47 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 122.81 1.29 . . . . 25.0 109.779 -177.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.04 -52.32 63.3 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.45 86.7 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.89 -40.43 96.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.479 . . . . 25.0 109.705 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.99 -43.17 99.41 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.86 -40.01 87.72 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.94 -36.36 73.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 98.6 m -67.91 -31.56 71.43 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 174.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.67 -83.53 0.35 Allowed Glycine 0 C--O 1.247 0.927 0 CA-C-O 121.833 0.685 . . . . 25.0 112.248 176.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -153.03 22.91 0.57 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -59.7 -48.07 83.13 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 119.97 -0.692 . . . . 25.0 112.77 -173.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.69 106.52 0.25 Allowed Glycine 0 C--O 1.198 -2.113 0 N-CA-C 110.315 -1.114 . . . . 25.0 110.315 -173.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--O 1.269 2.116 0 O-C-N 120.238 -1.742 . . . . 25.0 112.535 -179.137 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.147 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 19' ' ' TYR . 10.1 tt -47.96 -43.78 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.436 0.694 . . . . 25.0 112.201 -175.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.59 -53.93 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.814 -0.554 . . . . 25.0 111.691 -174.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -70.44 -27.29 64.15 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 120.086 -0.646 . . . . 25.0 109.912 -176.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -69.87 -43.19 72.38 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.669 0.747 . . . . 25.0 111.429 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.86 -30.39 26.49 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 115.853 -0.612 . . . . 25.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.16 -42.67 75.59 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 115.674 1.731 . . . . 25.0 115.674 176.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -80.44 -5.07 55.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.003 -0.544 . . . . 25.0 111.478 -172.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -137.65 166.53 23.7 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.592 0.557 . . . . 25.0 110.716 -176.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.05 123.89 26.16 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 N-CA-C 103.21 -2.885 . . . . 25.0 103.21 173.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 110.42 18.58 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.226 -178.251 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.89 143.02 51.13 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 123.917 0.76 . . . . 25.0 110.867 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.27 -47.19 86.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 121.536 -0.727 . . . . 25.0 111.313 176.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.19 -38.45 70.98 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -179.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -73.11 -41.0 64.5 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.941 -0.474 . . . . 25.0 109.962 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.82 -29.03 69.97 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.891 0.853 . . . . 25.0 110.082 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.26 -20.35 66.38 Favored 'General case' 0 C--O 1.193 -1.884 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.655 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.84 -17.85 61.01 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 121.016 -1.053 . . . . 25.0 108.386 -176.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HD12 ' A' ' 2' ' ' ILE . 53.6 m-85 -95.79 8.85 42.38 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 123.342 0.657 . . . . 25.0 109.703 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.26 124.33 19.97 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 123.231 1.491 . . . . 25.0 110.283 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.496 1.119 . . . . 25.0 111.176 -179.577 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.2 -1.518 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.6 t -79.71 128.63 38.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 105.918 -1.882 . . . . 25.0 105.918 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -109.77 138.76 45.67 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 123.366 1.555 . . . . 25.0 110.948 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.13 176.39 9.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.167 -0.924 . . . . 25.0 109.494 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -85.42 87.61 7.41 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.328 1.061 . . . . 25.0 108.428 167.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -87.11 111.42 20.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 -168.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 m -105.03 -82.26 0.52 Allowed 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -177.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.67 -94.67 2.02 Favored Glycine 0 N--CA 1.484 1.841 0 C-N-CA 119.623 -1.275 . . . . 25.0 115.11 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -57.76 -42.24 83.61 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.797 1.284 . . . . 25.0 112.617 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -57.67 -36.38 71.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 121.159 -0.963 . . . . 25.0 111.926 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.29 -51.65 50.22 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-N 118.903 0.774 . . . . 25.0 109.317 -174.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -29.22 37.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 125.355 1.659 . . . . 25.0 108.291 -175.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -71.19 -40.7 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.521 0.677 . . . . 25.0 112.597 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.73 74.56 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 121.292 -0.88 . . . . 25.0 108.663 176.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.41 -30.6 70.4 Favored 'General case' 0 N--CA 1.428 -1.535 0 O-C-N 121.372 -0.83 . . . . 25.0 111.631 176.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -63.67 -40.33 96.56 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.595 -1.316 . . . . 25.0 113.085 170.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.06 -38.08 89.79 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.804 -1.159 . . . . 25.0 109.85 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.54 -52.84 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.371 0.668 . . . . 25.0 112.063 -175.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 69.1 m -148.07 53.4 1.03 Allowed 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 120.518 -0.473 . . . . 25.0 111.13 -177.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.51 46.69 3.1 Favored Glycine 0 CA--C 1.492 -1.378 0 CA-C-N 115.85 -0.613 . . . . 25.0 114.369 175.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -48.68 69.31 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 -171.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.79 -16.56 19.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.036 0.922 . . . . 25.0 110.144 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.98 150.81 9.64 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.732 -172.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 121.137 0.494 . . . . 25.0 111.272 -178.625 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 3.836 0 N-CA-C 119.124 2.41 . . . . 25.0 119.124 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 tt -52.64 -44.95 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 CA-C-N 114.022 -1.089 . . . . 25.0 112.755 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.98 -55.59 21.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 120.285 -1.51 . . . . 25.0 112.686 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.75 -37.41 87.27 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.312 -1.736 . . . . 25.0 106.312 -175.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 124.049 0.843 . . . . 25.0 110.76 -178.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -84.43 -17.78 38.11 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.788 1.28 . . . . 25.0 114.007 -179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.77 -43.6 16.55 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.243 -0.911 . . . . 25.0 113.03 174.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -76.07 -26.61 56.67 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.603 1.192 . . . . 25.0 111.935 -175.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -138.08 146.95 43.55 Favored 'General case' 0 CA--C 1.477 -1.858 0 N-CA-C 104.727 -2.323 . . . . 25.0 104.727 173.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.95 119.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 -177.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 m -64.18 126.71 28.63 Favored 'General case' 0 C--O 1.244 0.81 0 O-C-N 121.619 -0.675 . . . . 25.0 110.133 171.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -74.61 152.85 39.19 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 119.375 -0.93 . . . . 25.0 109.002 178.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -59.11 -32.29 69.69 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.725 0.774 . . . . 25.0 111.104 -177.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.44 -39.93 95.8 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.022 1.329 . . . . 25.0 110.83 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -82.11 -27.84 32.59 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.973 -1.091 . . . . 25.0 109.075 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.27 -36.23 82.43 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.475 0.655 . . . . 25.0 111.662 179.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.7 -26.21 63.64 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.408 172.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -69.75 -21.09 63.48 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.712 -0.677 . . . . 25.0 110.287 -177.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.65 -6.41 59.35 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.898 -0.501 . . . . 25.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -82.17 109.62 16.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 123.596 1.665 . . . . 25.0 113.555 -177.319 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -67.13 117.39 8.2 Favored 'Isoleucine or valine' 0 C--O 1.259 1.593 0 O-C-N 120.885 -1.134 . . . . 25.0 109.131 -178.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -70.79 148.06 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -176.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -160.02 178.11 10.05 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -81.56 93.47 6.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.41 98.87 1.49 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -175.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 m -139.01 167.44 22.04 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 177.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.49 68.18 1.81 Allowed Glycine 0 C--O 1.221 -0.682 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.218 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m 71.11 -26.03 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -60.8 -35.49 76.61 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.54 -51.34 69.01 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.874 0.368 . . . . 25.0 111.736 -178.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -72.67 -29.72 31.26 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-O 121.494 0.664 . . . . 25.0 109.729 -177.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -42.5 74.67 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.901 -1.124 . . . . 25.0 109.088 177.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.04 99.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.047 1.403 . . . . 25.0 109.511 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -38.36 87.63 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 113.672 -1.603 . . . . 25.0 109.047 -178.235 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.66 -37.9 85.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.859 1.059 . . . . 25.0 113.859 173.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.37 -36.74 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.343 -0.223 . . . . 25.0 111.552 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.45 -28.59 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 115.461 1.652 . . . . 25.0 115.461 -178.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.55 33.23 0.27 Allowed 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.484 0.659 . . . . 25.0 112.169 -175.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.9 -60.74 4.08 Favored Glycine 0 C--O 1.195 -2.289 0 O-C-N 120.468 -1.395 . . . . 25.0 113.436 176.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 47.11 48.77 15.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 58.95 19.68 7.39 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.724 1.379 . . . . 25.0 114.724 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.84 -132.62 6.85 Favored Glycine 0 C--O 1.263 1.915 0 N-CA-C 108.872 -1.691 . . . . 25.0 108.872 173.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.162 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 178.18 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.556 0 N-CA-C 118.407 2.123 . . . . 25.0 118.407 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.1 tt -53.04 -45.58 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.251 -1.146 . . . . 25.0 112.648 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.04 -50.14 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.162 -0.961 . . . . 25.0 113.049 176.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.98 -26.1 64.86 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.612 -1.305 . . . . 25.0 110.074 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -72.24 -38.86 68.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 122.787 1.279 . . . . 25.0 112.312 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 t -93.35 -38.3 11.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.204 1.187 . . . . 25.0 114.204 -174.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -62.09 -23.32 66.44 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -86.99 -5.05 59.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.923 -178.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -138.04 -178.28 5.2 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.083 -1.011 . . . . 25.0 111.158 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 mm -89.31 114.97 28.21 Favored 'Isoleucine or valine' 0 C--O 1.258 1.512 0 N-CA-C 103.566 -2.753 . . . . 25.0 103.566 169.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 113.29 10.21 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 122.085 -0.385 . . . . 25.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 136.89 53.51 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 174.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.91 -22.99 64.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 118.863 0.756 . . . . 25.0 110.924 178.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.85 -37.21 85.57 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 122.721 1.248 . . . . 25.0 109.346 174.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.57 -37.22 60.07 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.688 -1.142 . . . . 25.0 108.4 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.25 -40.24 95.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 124.554 1.159 . . . . 25.0 109.49 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.97 -24.86 66.42 Favored 'General case' 0 C--O 1.255 1.355 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 177.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.58 -17.37 62.3 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.931 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -78.67 -4.21 47.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.652 -0.869 . . . . 25.0 108.652 175.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.3 t -152.97 56.93 0.79 Allowed 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 -173.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 126.041 2.829 . . . . 25.0 109.995 -172.335 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -125.89 148.55 30.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 CA-C-O 122.044 0.926 . . . . 25.0 108.987 -176.162 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -84.09 113.16 20.85 Favored 'General case' 0 C--O 1.192 -1.929 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 173.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.36 154.44 40.9 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.268 1.032 . . . . 25.0 110.71 -175.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -77.9 68.25 3.92 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 123.551 1.643 . . . . 25.0 111.606 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.4 126.37 27.12 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.563 -1.335 . . . . 25.0 108.575 -175.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -137.04 -60.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 -170.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 -147.55 4.07 Favored Glycine 0 C--O 1.258 1.595 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 175.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -61.51 -14.85 32.68 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.13 -1.217 . . . . 25.0 112.233 -176.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -60.57 -37.29 80.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 171.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.46 -40.66 97.7 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 124.567 1.167 . . . . 25.0 110.951 -178.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.86 -41.25 79.63 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 122.994 1.378 . . . . 25.0 108.229 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -68.13 -38.26 82.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.392 -1.276 . . . . 25.0 112.091 -178.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.93 94.61 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.563 -1.335 . . . . 25.0 111.832 174.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.93 -43.48 98.68 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 115.138 -0.937 . . . . 25.0 109.502 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -46.23 89.8 Favored 'General case' 0 CA--C 1.499 -1.011 0 C-N-CA 119.358 -0.937 . . . . 25.0 109.855 177.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.78 -33.74 75.8 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.1 m -81.65 -32.32 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 119.751 1.159 . . . . 25.0 110.978 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.87 -49.31 12.12 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 122.302 1.049 . . . . 25.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.9 -84.71 0.68 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 121.209 -0.932 . . . . 25.0 113.919 -178.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -60.42 127.66 32.83 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -177.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 54.14 46.34 25.58 Favored 'General case' 0 C--O 1.196 -1.731 0 N-CA-C 114.069 1.137 . . . . 25.0 114.069 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.71 -168.8 10.16 Favored Glycine 0 C--O 1.214 -1.132 0 CA-C-N 115.749 -0.66 . . . . 25.0 113.296 176.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--O 1.216 -0.696 0 C-N-CA 118.489 -1.284 . . . . 25.0 113.235 -179.221 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 CA-C-O 123.469 1.594 . . . . 25.0 115.95 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -58.59 -39.95 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.466 -1.608 . . . . 25.0 112.841 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -70.44 -44.61 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.381 -0.824 . . . . 25.0 111.237 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.1 -38.21 85.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.873 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -72.11 -54.55 9.43 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.097 0.475 . . . . 25.0 110.522 179.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.9 -23.33 63.22 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 -173.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -22.17 66.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.511 -0.875 . . . . 25.0 111.199 177.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -126.22 27.65 6.2 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.772 0.796 . . . . 25.0 109.088 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -141.98 172.31 12.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.436 0.636 . . . . 25.0 109.401 177.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.52 -42.05 25.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 175.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 m 49.0 57.4 6.49 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.754 0.788 . . . . 25.0 110.537 -173.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.36 157.1 20.66 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.921 -1.491 . . . . 25.0 110.613 -175.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.89 62.69 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -177.116 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.31 -36.78 84.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.725 0.774 . . . . 25.0 112.019 178.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -87.65 -38.74 15.63 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.57 -33.33 68.04 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -63.95 -19.62 65.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.764 -0.585 . . . . 25.0 110.504 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -66.72 -25.73 66.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 120.885 -1.135 . . . . 25.0 110.208 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -77.74 -7.71 56.93 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.878 -0.514 . . . . 25.0 110.658 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.56 8.16 27.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.538 0.685 . . . . 25.0 109.616 170.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 121.917 0.865 . . . . 25.0 110.919 177.745 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 122.159 0.98 . . . . 25.0 112.704 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.85 117.43 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 123.823 1.773 . . . . 25.0 110.591 -177.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -82.05 116.98 21.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.576 -1.328 . . . . 25.0 111.749 -178.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -154.69 165.12 37.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -65.95 143.99 57.05 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 120.531 -0.468 . . . . 25.0 110.645 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 147.73 29.73 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.667 0.746 . . . . 25.0 112.054 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -161.65 166.23 27.1 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.07 -141.79 47.59 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 120.072 -1.061 . . . . 25.0 111.606 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -59.73 -29.03 67.85 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.103 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -65.34 -33.72 76.63 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.24 -0.912 . . . . 25.0 109.454 -176.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.51 -52.61 51.47 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 116.118 -0.492 . . . . 25.0 109.697 -178.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.66 -26.7 31.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.082 -176.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.25 -41.18 67.07 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.465 -0.772 . . . . 25.0 111.526 175.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.06 94.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.712 -1.243 . . . . 25.0 108.564 177.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.89 -42.74 99.43 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.597 0.561 . . . . 25.0 111.421 177.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.54 -44.64 95.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 122.37 0.268 . . . . 25.0 111.321 178.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.28 -39.81 86.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.316 1.01 . . . . 25.0 111.982 -177.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.97 -42.36 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.919 0.781 . . . . 25.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.05 77.07 0.11 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-O 121.68 0.752 . . . . 25.0 110.588 177.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.92 -119.37 0.13 Allowed Glycine 0 C--O 1.22 -0.748 0 N-CA-C 119.777 2.671 . . . . 25.0 119.777 178.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 60.74 25.39 15.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.206 0.817 . . . . 25.0 113.206 -176.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -114.96 2.29 14.22 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.55 0.944 . . . . 25.0 113.55 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.5 -49.15 4.19 Favored Glycine 0 C--O 1.212 -1.233 0 C-N-CA 120.313 -0.946 . . . . 25.0 115.178 176.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 177.009 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.378 0 N-CA-C 116.185 1.234 . . . . 25.0 116.185 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -43.37 -44.35 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.415 0 C-N-CA 125.483 1.513 . . . . 25.0 113.943 -170.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.5 -44.19 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -174.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.82 -40.36 75.96 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.519 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.18 -44.87 92.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.2 -32.96 19.52 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 117.748 2.499 . . . . 25.0 117.748 -176.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.6 t -66.96 -34.83 78.63 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 -176.79 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -97.75 142.71 29.19 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t 53.81 45.31 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.668 1.23 . . . . 25.0 110.559 178.091 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt 0.1 99.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.253 1.269 0 CA-C-N 112.297 -2.229 . . . . 25.0 116.5 -178.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -63.47 161.23 14.76 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 110.372 -0.233 . . . . 25.0 110.372 177.058 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.6 p -87.73 151.9 22.55 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 119.125 -0.465 . . . . 25.0 112.106 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.99 -17.39 63.29 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 119.978 1.263 . . . . 25.0 111.035 178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.93 -37.27 75.86 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.849 0.833 . . . . 25.0 110.756 176.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -72.75 -44.54 61.49 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.302 172.606 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 tp -57.69 -35.17 70.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.1 -31.39 71.08 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.996 174.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -18.67 64.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.854 1.206 . . . . 25.0 111.927 178.156 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -74.61 -19.59 60.24 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 119.449 -0.9 . . . . 25.0 111.495 177.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -158.79 98.63 1.51 Allowed 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.572 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.378 1.827 0 C-N-CA 126.201 1.8 . . . . 25.0 110.742 177.237 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 123.922 1.82 . . . . 25.0 114.256 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.58 130.13 26.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -178.5 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -80.56 107.94 13.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.403 0.621 . . . . 25.0 109.864 176.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -152.81 172.08 17.27 Favored 'General case' 0 C--O 1.253 1.246 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 -179.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.92 74.17 0.61 Allowed 'General case' 0 CA--C 1.558 1.285 0 O-C-N 121.223 -0.923 . . . . 25.0 112.055 175.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.98 121.48 14.76 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 119.981 -1.7 . . . . 25.0 108.685 178.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 -130.97 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.862 -1.063 . . . . 25.0 109.511 -171.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -31.61 104.76 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 116.476 1.351 . . . . 25.0 116.476 177.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.18 -44.24 0.34 Allowed 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 127.172 2.189 . . . . 25.0 116.565 -176.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -37.32 74.59 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -178.254 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.64 -49.68 67.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.014 -1.469 . . . . 25.0 113.503 175.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.77 -24.58 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 CA-C-N 120.085 1.312 . . . . 25.0 110.597 -178.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.22 -40.33 82.14 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 119.72 -0.792 . . . . 25.0 112.659 172.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.36 84.21 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.878 0.847 . . . . 25.0 111.872 175.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.88 -44.33 94.25 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-N 114.137 -1.392 . . . . 25.0 108.99 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.47 -40.7 97.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.155 -0.966 . . . . 25.0 109.879 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.2 -41.08 99.12 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.164 -176.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 32.6 m -80.36 -20.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.8 t -96.47 -58.09 2.15 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.63 -58.74 4.99 Favored Glycine 0 N--CA 1.47 0.927 0 O-C-N 119.995 -1.69 . . . . 25.0 112.346 -173.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.43 -131.27 1.02 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 -178.428 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -119.59 29.18 7.74 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 104.21 -2.515 . . . . 25.0 104.21 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 167.7 27.41 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 106.424 -2.67 . . . . 25.0 106.424 -169.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.508 2.433 0 CA-C-N 119.472 1.636 . . . . 25.0 111.583 178.198 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.933 0 N-CA-C 117.977 1.951 . . . . 25.0 117.977 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.37 -34.23 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-O 123.186 1.47 . . . . 25.0 112.444 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.61 -54.91 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 119.038 -2.289 . . . . 25.0 110.557 177.21 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -28.88 63.12 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.586 -0.846 . . . . 25.0 109.878 -171.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.86 -54.59 32.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 171.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -20.51 52.58 Favored 'General case' 0 C--O 1.181 -2.538 0 C-N-CA 117.529 -1.668 . . . . 25.0 112.558 -171.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.37 -10.04 59.1 Favored 'General case' 0 C--O 1.26 1.652 0 O-C-N 121.154 -0.966 . . . . 25.0 112.615 -179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -119.05 -10.94 9.72 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 123.61 0.569 . . . . 25.0 111.83 179.047 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -123.6 165.28 17.44 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.053 -1.029 . . . . 25.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.47 133.24 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 103.217 -2.882 . . . . 25.0 103.217 172.225 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.73 116.01 21.9 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.807 1.289 . . . . 25.0 111.442 -177.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.52 34.99 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 176.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.26 -31.64 71.26 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.377 0.989 . . . . 25.0 109.833 177.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.31 -43.18 96.57 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -75.98 -38.6 57.27 Favored 'General case' 0 N--CA 1.425 -1.688 0 C-N-CA 119.86 -0.736 . . . . 25.0 112.037 178.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -33.71 75.04 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.093 -0.379 . . . . 25.0 110.118 -177.159 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.71 -17.79 65.04 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.717 1.377 . . . . 25.0 114.717 178.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -72.85 -18.63 61.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.218 -2.176 . . . . 25.0 111.545 172.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.49 -13.79 59.84 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 123.087 1.422 . . . . 25.0 109.4 175.152 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -104.8 31.29 4.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 123.711 1.72 . . . . 25.0 109.106 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--O 1.194 -1.823 0 CA-C-O 123.711 1.72 . . . . 25.0 115.322 176.436 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.193 -1.881 0 CA-C-O 121.361 0.6 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -116.63 140.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.016 -1.677 . . . . 25.0 110.863 174.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -79.08 88.35 4.82 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 110.263 -0.273 . . . . 25.0 110.263 176.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -140.46 169.36 17.8 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.07 135.78 49.61 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.021 -2.214 . . . . 25.0 105.021 172.079 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -132.13 127.04 35.12 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.782 -0.574 . . . . 25.0 109.788 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -139.67 176.38 8.78 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 35.55 -124.85 0.71 Allowed Glycine 0 C--O 1.261 1.806 0 N-CA-C 116.401 1.32 . . . . 25.0 116.401 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.2 p -66.5 -30.55 70.91 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 115.35 1.611 . . . . 25.0 115.35 -174.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -69.2 -37.85 78.31 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.375 -0.828 . . . . 25.0 110.054 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.72 -48.14 67.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.61 -26.28 23.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 118.524 -1.27 . . . . 25.0 110.129 -178.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -48.31 80.07 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.09 -0.644 . . . . 25.0 112.099 171.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.38 92.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.348 -0.842 . . . . 25.0 109.956 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.68 -28.39 69.04 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.09 -35.94 66.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 119.653 -1.904 . . . . 25.0 111.254 172.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.04 -34.56 78.29 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.112 -0.992 . . . . 25.0 109.246 -177.1 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.36 -22.8 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.85 15.18 1.55 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.651 1.352 . . . . 25.0 114.651 -171.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.21 -56.72 23.65 Favored Glycine 0 C--O 1.27 2.377 0 N-CA-C 120.004 2.762 . . . . 25.0 120.004 -175.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 39.49 -106.5 0.06 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -172.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -128.39 20.49 6.22 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 121.913 -0.492 . . . . 25.0 111.624 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.71 -71.23 1.3 Allowed Glycine 0 C--N 1.349 1.263 0 C-N-CA 119.83 -1.176 . . . . 25.0 112.387 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 CA--C 1.474 -1.948 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 -176.222 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -2.272 0 CA-C-O 123.454 1.586 . . . . 25.0 113.764 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -57.26 -32.74 41.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 119.092 -2.417 . . . . 25.0 113.895 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 121.294 1.861 . . . . 25.0 110.426 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.25 -28.45 68.06 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 119.205 -0.998 . . . . 25.0 111.991 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -65.51 -48.89 71.02 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 122.357 1.075 . . . . 25.0 110.784 175.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -78.39 -23.47 46.78 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 120.531 -1.356 . . . . 25.0 113.128 -173.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -73.45 -22.79 60.09 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.471 -0.768 . . . . 25.0 112.854 175.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -113.41 -17.42 12.25 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 114.73 1.382 . . . . 25.0 114.73 -178.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -141.74 158.33 43.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -74.41 131.84 34.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -178.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 p -118.65 161.76 19.54 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 171.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -146.4 -177.72 5.78 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.246 -0.909 . . . . 25.0 108.947 177.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.06 -36.9 66.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.33 -1.795 . . . . 25.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.31 -44.68 92.53 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 120.446 1.476 . . . . 25.0 112.52 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -73.79 -40.9 63.08 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.931 0.872 . . . . 25.0 109.108 177.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.6 -39.55 94.67 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.367 -0.833 . . . . 25.0 112.362 -172.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.23 -5.81 25.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.761 -0.776 . . . . 25.0 113.028 -179.263 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -70.28 -20.08 63.06 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 174.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -102.29 11.42 38.17 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.099 -1.001 . . . . 25.0 110.409 -178.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -3.32 58.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.067 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.188 -2.172 1 CA-C-O 129.261 4.362 . . . . 25.0 113.122 171.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.196 -1.759 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.93 132.87 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 CA-C-O 123.258 1.504 . . . . 25.0 109.399 176.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -77.0 129.22 35.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.592 -1.318 . . . . 25.0 109.238 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -147.65 175.26 11.02 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 -179.313 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -86.83 130.8 34.32 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 162.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.08 143.36 50.5 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 103.842 -2.651 . . . . 25.0 103.842 176.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -165.23 66.66 0.13 Allowed 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 122.655 1.217 . . . . 25.0 113.632 -171.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.47 -153.36 25.23 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 109.582 -1.407 . . . . 25.0 109.582 -174.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -59.67 -28.28 67.14 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 117.095 2.258 . . . . 25.0 117.095 -174.075 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -39.45 76.05 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.078 177.315 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.68 -52.91 25.86 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -178.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.2 -41.3 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 -178.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -69.7 -48.17 60.57 Favored 'General case' 0 N--CA 1.519 2.976 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -175.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.34 79.29 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.304 1.05 . . . . 25.0 111.119 176.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.25 -32.99 74.39 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 114.201 -1.363 . . . . 25.0 109.604 -175.421 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.38 -41.97 72.35 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.615 0.722 . . . . 25.0 111.947 173.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -58.52 -33.92 70.39 Favored 'General case' 0 C--O 1.265 1.88 0 CA-C-O 117.861 -1.066 . . . . 25.0 111.924 178.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -96.56 -43.66 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 177.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 14.84 14.22 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.965 -1.084 . . . . 25.0 111.918 -169.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 7.71 0.84 Allowed Glycine 0 C--O 1.205 -1.698 0 CA-C-O 116.26 -2.411 . . . . 25.0 116.529 -177.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -67.71 -29.44 68.69 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.656 1.728 . . . . 25.0 109.925 176.582 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -148.17 5.46 0.75 Allowed 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 175.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.73 -34.48 56.42 Favored Glycine 0 N--CA 1.419 -2.473 0 N-CA-C 118.706 2.242 . . . . 25.0 118.706 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.201 -1.472 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 173.716 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 123.468 1.593 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 tt -60.13 -40.84 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 O-C-N 120.632 -1.51 . . . . 25.0 108.179 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.69 -47.25 91.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.251 -179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.64 -13.22 56.85 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 118.993 0.815 . . . . 25.0 111.776 -177.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -81.8 -42.19 20.06 Favored 'General case' 0 C--O 1.202 -1.424 0 CA-C-N 117.718 0.236 . . . . 25.0 110.968 174.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 t -84.78 -57.45 3.11 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-O 122.047 0.927 . . . . 25.0 111.274 -176.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.44 73.2 7.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.053 -1.03 . . . . 25.0 111.222 -176.122 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -158.38 -27.62 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.734 176.606 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -146.47 39.68 1.08 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 121.849 0.833 . . . . 25.0 112.445 -175.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt 66.6 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 123.832 1.777 . . . . 25.0 112.588 -178.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.5 128.25 35.16 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 113.777 -1.556 . . . . 25.0 108.202 174.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -121.81 144.73 48.65 Favored 'General case' 0 CA--C 1.485 -1.541 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 -174.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.12 -37.17 69.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.575 -1.193 . . . . 25.0 110.909 -176.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.38 -47.47 47.59 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.531 -0.747 . . . . 25.0 111.379 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -29.54 15.31 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.573 0.582 . . . . 25.0 112.573 -176.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -38.48 85.76 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 122.049 0.928 . . . . 25.0 113.334 177.139 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -22.34 65.5 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 121.005 -1.059 . . . . 25.0 109.928 176.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -68.17 -18.42 64.6 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.086 -1.634 . . . . 25.0 110.997 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -77.44 -0.8 27.28 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.204 177.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -77.8 128.58 34.23 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 121.416 0.627 . . . . 25.0 110.625 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 124.822 2.249 . . . . 25.0 112.013 174.228 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.92 133.38 66.25 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.718 0 N-CA-C 105.825 -1.916 . . . . 25.0 105.825 172.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -76.87 101.9 6.11 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -129.13 160.82 31.65 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -61.16 128.3 35.74 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.17 -0.956 . . . . 25.0 110.801 175.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.03 127.8 27.21 Favored 'General case' 0 C--O 1.209 -1.059 0 C-N-CA 124.46 1.104 . . . . 25.0 110.197 -178.286 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.54 164.45 37.58 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.702 0.683 . . . . 25.0 109.814 -176.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.28 -145.58 47.73 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 120.392 1.451 . . . . 25.0 112.147 172.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -57.99 -35.77 71.68 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 114.104 1.15 . . . . 25.0 114.104 179.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -60.47 -40.05 89.85 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.177 0.806 . . . . 25.0 113.177 -178.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.85 -46.88 67.35 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 123.08 1.419 . . . . 25.0 113.7 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.09 -34.03 57.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 114.526 -1.216 . . . . 25.0 109.587 -177.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.5 -41.04 73.16 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 122.391 1.091 . . . . 25.0 111.205 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.56 75.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.61 -41.37 98.94 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 122.431 0.292 . . . . 25.0 111.495 173.419 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.447 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 59.1 t80 -61.44 -40.44 94.47 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.114 -1.035 . . . . 25.0 113.004 175.104 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.23 -43.09 82.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.341 0.256 . . . . 25.0 110.755 -174.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.62 -32.58 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.641 0.588 . . . . 25.0 112.123 -177.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.22 39.57 0.01 OUTLIER 'General case' 0 CA--C 1.604 3.049 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -172.391 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -86.5 -162.97 37.79 Favored Glycine 0 C--O 1.242 0.599 0 N-CA-C 118.36 2.104 . . . . 25.0 118.36 -178.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.76 179.01 6.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.862 1.665 . . . . 25.0 114.705 -178.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.3 -16.2 64.13 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.611 1.338 . . . . 25.0 114.611 -178.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.78 0.0 79.08 Favored Glycine 0 C--O 1.184 -2.992 0 N-CA-C 116.376 1.31 . . . . 25.0 116.376 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -173.708 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.852 0 CA-C-O 122.24 0.911 . . . . 25.0 111.111 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -33.48 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.243 172.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.93 -45.65 96.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 121.914 -0.491 . . . . 25.0 111.254 -177.298 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -84.81 -22.29 29.57 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.295 -177.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.6 -34.75 74.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.145 0.578 . . . . 25.0 111.02 175.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.12 -43.82 11.99 Favored 'General case' 0 C--O 1.258 1.549 0 CA-C-O 119.268 -0.396 . . . . 25.0 110.508 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -82.12 54.24 2.46 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -177.107 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -152.66 -5.65 0.21 Allowed 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.496 1.617 . . . . 25.0 109.779 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -148.41 -179.5 7.0 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.003 -1.685 . . . . 25.0 107.037 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.34 125.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 104.269 -2.493 . . . . 25.0 104.269 164.558 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.55 125.78 35.72 Favored 'General case' 0 CA--C 1.584 2.275 0 O-C-N 120.922 -1.111 . . . . 25.0 109.861 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -89.87 153.05 20.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 122.016 0.912 . . . . 25.0 108.651 -176.065 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.46 -24.97 66.51 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.395 -1.275 . . . . 25.0 107.921 174.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -66.28 -42.97 87.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 123.291 0.636 . . . . 25.0 112.601 -176.117 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.64 -31.84 28.58 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 177.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 23.0 tp -55.38 -40.67 71.62 Favored 'General case' 0 CA--C 1.564 1.511 0 O-C-N 121.189 -0.944 . . . . 25.0 112.416 172.189 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.16 -15.09 63.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 176.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -73.7 -23.08 59.76 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 119.846 -0.742 . . . . 25.0 109.854 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 17.8 m-85 -84.62 -2.98 58.23 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.69 0.619 . . . . 25.0 110.089 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -108.22 21.53 17.21 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.614 -176.168 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--O 1.199 -1.59 0 CA-C-O 122.91 1.338 . . . . 25.0 110.166 -177.294 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 116.018 1.859 . . . . 25.0 116.018 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.99 89.32 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 O-C-N 120.08 -1.637 . . . . 25.0 109.838 177.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' B' ' 33' ' ' ASN . 1.4 p30 -80.94 101.85 9.74 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 105.12 -2.178 . . . . 25.0 105.12 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -156.5 169.67 24.11 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.18 -1.575 . . . . 25.0 107.733 -168.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.5 83.4 1.49 Allowed 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 121.743 0.783 . . . . 25.0 109.113 165.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.65 121.6 24.88 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.01 -178.99 6.32 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 -176.163 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.29 -134.92 37.07 Favored Glycine 0 C--N 1.318 -0.454 0 N-CA-C 115.528 0.971 . . . . 25.0 115.528 171.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 95.3 p -77.02 -24.84 52.1 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.764 0.826 . . . . 25.0 113.127 178.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -64.28 -26.25 68.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 121.327 -0.858 . . . . 25.0 112.653 176.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.0 -53.74 18.95 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.718 -0.674 . . . . 25.0 110.225 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.56 -35.03 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 122.053 -0.404 . . . . 25.0 111.084 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -43.3 94.77 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.267 0.839 . . . . 25.0 113.267 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.85 81.71 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -179.183 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.3 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.45 -44.39 91.26 Favored 'General case' 0 C--O 1.248 0.98 0 O-C-N 120.934 -1.103 . . . . 25.0 112.838 176.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.48 -38.78 92.21 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 113.505 0.928 . . . . 25.0 113.505 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.66 -29.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.861 177.347 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -82.73 -46.7 12.85 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 119.585 -1.947 . . . . 25.0 112.517 -175.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.19 72.71 Favored Glycine 0 C--O 1.179 -3.3 0 O-C-N 120.998 -1.064 . . . . 25.0 113.622 -174.087 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.31 -74.65 0.34 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -171.345 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -160.18 -30.66 0.06 Allowed 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.91 168.02 11.42 Favored Glycine 0 N--CA 1.478 1.482 0 CA-C-O 118.357 -1.246 . . . . 25.0 111.958 -179.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 C--O 1.267 1.994 0 O-C-N 124.343 0.673 . . . . 25.0 111.566 179.315 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.665 0 CA-C-O 122.518 1.065 . . . . 25.0 114.273 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 tt -52.75 -44.7 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -177.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.1 t -57.33 -52.55 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.09 -0.382 . . . . 25.0 111.83 176.025 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.61 -39.71 94.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.056 0.844 . . . . 25.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.78 -39.12 83.85 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 173.553 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.46 -24.25 31.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 25.0 109.86 -177.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -74.11 -39.06 63.63 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -176.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -86.33 151.24 23.74 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.236 -1.394 . . . . 25.0 107.236 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p 58.06 -172.92 0.09 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.827 -1.078 . . . . 25.0 110.777 -178.202 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.73 126.02 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.064 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 116.65 27.46 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.753 -1.202 . . . . 25.0 107.753 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 p -94.29 151.59 19.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -175.477 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.3 -25.25 63.24 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.101 -1.0 . . . . 25.0 108.978 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.56 -40.91 93.35 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.489 -0.757 . . . . 25.0 110.029 174.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -77.36 -37.72 51.67 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 121.736 -0.602 . . . . 25.0 111.194 177.109 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.4 -29.3 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.72 -24.05 67.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 175.184 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.53 -23.06 67.15 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 175.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -89.17 -8.81 52.92 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.195 -0.941 . . . . 25.0 109.122 -178.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.81 33.38 5.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.161 -0.927 . . . . 25.0 109.722 173.569 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.19 -2.045 0 CA-C-O 125.142 2.401 . . . . 25.0 109.742 176.045 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.843 0.83 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.56 140.17 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.701 -1.25 . . . . 25.0 108.252 174.639 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -80.63 98.92 7.88 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 175.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.86 -177.73 6.07 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-O 118.473 -0.775 . . . . 25.0 110.082 -174.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -83.77 80.32 9.18 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 176.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 117.68 18.15 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 -178.102 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 34.7 t -157.4 65.54 0.49 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.936 -166.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.93 -146.16 13.29 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -58.91 -28.85 66.6 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.0 1.4 . . . . 25.0 113.644 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -29.52 70.71 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 114.64 1.348 . . . . 25.0 114.64 176.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.75 -52.48 25.03 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.38 -23.36 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.15 -1.02 . . . . 25.0 111.861 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -71.75 -43.09 66.41 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 120.997 -1.064 . . . . 25.0 110.717 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.62 82.24 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 174.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.77 -45.16 86.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 119.371 -0.347 . . . . 25.0 111.239 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -59.19 -43.13 92.19 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-O 118.494 -0.765 . . . . 25.0 109.814 175.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.76 -42.27 99.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.141 -0.624 . . . . 25.0 112.293 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.44 -22.49 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 O-C-N 120.998 -1.064 . . . . 25.0 111.545 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -41.5 54.77 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 120.714 -1.241 . . . . 25.0 109.622 175.275 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.08 -75.92 0.25 Allowed Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.258 1.663 . . . . 25.0 117.258 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -149.48 1.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 117.009 2.226 . . . . 25.0 117.009 -167.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.8 -30.49 71.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -178.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.81 141.41 9.95 Favored Glycine 0 C--N 1.308 -1.02 0 N-CA-C 109.939 -1.264 . . . . 25.0 109.939 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--O 1.237 0.435 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 -179.766 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 114.256 0.462 . . . . 25.0 114.256 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 19' ' ' TYR . 8.5 tt -56.9 -36.35 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 O-C-N 120.293 -1.71 . . . . 25.0 112.09 177.128 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.33 -56.53 15.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 O-C-N 120.901 -1.125 . . . . 25.0 112.253 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.5 -25.55 68.04 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.059 -1.651 . . . . 25.0 113.236 -178.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -77.71 -43.94 29.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 175.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.43 -32.98 42.94 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.004 0.907 . . . . 25.0 113.399 -174.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.3 m -64.08 -13.92 50.88 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 117.011 2.226 . . . . 25.0 117.011 -178.089 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.13 1.67 11.38 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -178.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -138.8 160.26 40.13 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.75 0.786 . . . . 25.0 111.217 -176.054 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -77.2 125.08 36.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 118.028 -1.469 . . . . 25.0 107.373 176.116 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.0 m -97.36 119.96 36.84 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 115.154 1.539 . . . . 25.0 115.154 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -82.32 156.68 24.14 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' B' ' 31' ' ' PHE . 31.6 mt -67.77 -34.28 76.49 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.492 0.663 . . . . 25.0 110.488 176.006 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -52.19 -45.51 65.21 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.401 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 -48.28 14.13 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.486 -0.759 . . . . 25.0 111.485 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.74 -38.88 70.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -178.596 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.38 -19.59 65.58 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -67.14 -22.06 65.8 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 120.914 0.388 . . . . 25.0 111.873 179.867 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.423 ' CG ' HD12 ' A' ' 2' ' ' ILE . 98.8 m-85 -84.45 -6.46 59.38 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.585 177.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -89.2 -55.0 3.85 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.763 0.792 . . . . 25.0 110.698 177.166 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 C--O 1.19 -2.037 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 174.083 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 13' ' ' LEU . 40.4 t80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 123.049 1.404 . . . . 25.0 112.767 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.46 110.92 27.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.039 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -76.33 96.18 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.667 1.223 . . . . 25.0 109.681 173.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.68 176.58 8.55 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.114 -1.403 . . . . 25.0 111.76 -170.826 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -92.83 -29.41 15.98 Favored 'General case' 0 C--O 1.191 -2.007 0 C-N-CA 124.313 1.045 . . . . 25.0 112.631 178.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt 45.72 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.914 1.45 . . . . 25.0 114.914 176.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -124.48 112.02 16.4 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -176.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.37 128.84 0.31 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 115.216 0.846 . . . . 25.0 115.216 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m 58.18 -61.79 0.03 OUTLIER 'General case' 0 N--CA 1.523 3.191 0 N-CA-C 115.671 1.73 . . . . 25.0 115.671 -174.122 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.21 -31.63 72.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.197 1.799 . . . . 25.0 114.558 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.97 -57.64 11.93 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 122.072 0.939 . . . . 25.0 111.916 175.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.88 -23.97 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -70.56 -45.37 65.55 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 121.639 0.733 . . . . 25.0 111.896 176.499 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.72 74.88 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 121.692 -0.63 . . . . 25.0 110.986 172.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -43.4 81.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.665 -1.272 . . . . 25.0 111.22 177.171 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.84 -47.27 86.41 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.231 0.923 . . . . 25.0 109.862 178.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.0 -46.06 83.0 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.788 -174.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.14 -31.73 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.179 -1.575 . . . . 25.0 109.73 -178.045 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.68 -33.28 58.26 Favored 'General case' 0 N--CA 1.515 2.812 0 CA-C-O 123.067 1.413 . . . . 25.0 112.288 -177.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.86 65.25 1.99 Allowed Glycine 0 N--CA 1.44 -1.082 0 O-C-N 120.39 -1.444 . . . . 25.0 112.127 -178.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 66.46 -140.69 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 113.069 -1.565 . . . . 25.0 110.879 -171.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 62.96 17.34 9.98 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.482 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.21 166.0 30.17 Favored Glycine 0 CA--C 1.476 -2.378 0 CA-C-O 116.971 -2.016 . . . . 25.0 110.092 178.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 116.542 2.052 . . . . 25.0 116.542 -179.894 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.204 0 CA-C-O 120.878 0.155 . . . . 25.0 113.172 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -59.22 -34.19 53.01 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.23 -55.88 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.054 0 C-N-CA 118.115 -1.434 . . . . 25.0 109.843 -174.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.01 -26.16 68.73 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 118.921 -0.561 . . . . 25.0 111.665 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.09 -51.74 23.37 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 118.578 0.626 . . . . 25.0 110.901 175.19 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 m -68.36 -26.03 65.37 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.62 -13.72 60.35 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.386 -1.446 . . . . 25.0 114.263 176.263 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -125.18 -18.15 5.49 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -131.08 156.34 45.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.586 1.155 . . . . 25.0 112.003 173.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -77.21 133.59 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -178.123 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.84 84.13 2.16 Favored 'General case' 0 C--O 1.192 -1.939 0 CA-C-O 121.15 0.5 . . . . 25.0 110.063 172.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -62.99 168.29 4.13 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 119.034 -0.508 . . . . 25.0 109.646 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' B' ' 31' ' ' PHE . 2.0 tt -53.8 -34.43 59.14 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 119.407 1.003 . . . . 25.0 112.295 177.566 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -53.6 -35.7 61.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 25.0 111.784 174.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -85.03 -44.35 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.57 1.176 . . . . 25.0 109.105 -178.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.56 -32.64 67.32 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.475 -1.693 . . . . 25.0 111.705 -175.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.67 -23.09 65.85 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.92 1.082 . . . . 25.0 113.92 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.39 -26.24 60.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.881 0.764 . . . . 25.0 111.625 174.512 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -81.0 -0.33 39.12 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.0 3.05 55.74 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 123.501 1.62 . . . . 25.0 110.719 171.365 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.388 2.246 0 CA-C-O 126.03 2.824 . . . . 25.0 112.279 176.106 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 33.2 t80 . . . . . 0 N--CA 1.513 2.706 0 CA-C-O 126.122 2.868 . . . . 25.0 115.989 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.67 125.59 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 CA-C-N 112.848 -1.978 . . . . 25.0 107.348 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.12 101.83 6.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 119.897 -0.721 . . . . 25.0 110.967 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.51 166.62 23.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.131 0.972 . . . . 25.0 113.405 178.095 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.73 148.26 33.11 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-O 122.843 1.306 . . . . 25.0 108.555 171.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -132.72 133.09 43.06 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 -177.624 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -146.68 -49.12 0.19 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -173.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.33 -132.09 6.46 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 120.978 -1.076 . . . . 25.0 112.668 -177.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -66.76 -27.18 67.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 118.516 -0.754 . . . . 25.0 111.987 -178.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -39.21 71.97 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 118.492 0.587 . . . . 25.0 110.215 177.748 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.06 -54.19 33.99 Favored 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.991 -1.068 . . . . 25.0 109.559 -178.23 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.98 -27.37 29.77 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.842 0 C-N-CA 118.981 -1.088 . . . . 25.0 113.674 -175.093 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.65 -52.45 51.63 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 118.284 -0.865 . . . . 25.0 112.665 168.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.41 90.85 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.001 1.273 . . . . 25.0 109.563 -177.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.87 -40.3 92.44 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 174.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.28 -46.97 84.32 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.43 -35.98 82.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.952 -1.099 . . . . 25.0 110.482 -175.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.59 -37.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 -175.545 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.53 44.13 1.51 Allowed 'General case' 0 C--O 1.25 1.079 0 C-N-CA 122.973 0.509 . . . . 25.0 112.172 -175.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.59 45.05 0.5 Allowed Glycine 0 CA--C 1.542 1.768 0 N-CA-C 119.052 2.381 . . . . 25.0 119.052 -171.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.69 -31.63 66.98 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -176.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -77.27 -8.99 58.52 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.324 1.05 . . . . 25.0 110.978 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -78.9 0.34 Allowed Glycine 0 C--O 1.187 -2.795 0 CA-C-O 118.043 -1.421 . . . . 25.0 115.487 174.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 123.258 1.504 . . . . 25.0 113.868 -178.692 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.355 0 N-CA-C 116.268 1.267 . . . . 25.0 116.268 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -52.11 -45.4 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 O-C-N 121.192 -1.181 . . . . 25.0 112.393 -177.077 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.88 -59.14 2.98 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-N 118.509 0.595 . . . . 25.0 111.862 -178.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.08 -20.95 65.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 118.146 -0.931 . . . . 25.0 112.481 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -73.83 -38.24 64.61 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.255 0.934 . . . . 25.0 111.538 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -45.07 14.66 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 177.187 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.05 -0.14 1.49 Allowed 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.156 2.65 . . . . 25.0 118.156 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -124.34 124.37 42.24 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 176.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t 61.9 -178.71 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.872 0.869 . . . . 25.0 112.433 -166.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -91.52 119.85 39.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.65 166.64 11.4 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 176.901 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -142.92 171.37 14.14 Favored 'General case' 0 C--O 1.261 1.687 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 -171.36 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.06 -32.38 66.16 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 125.724 1.89 . . . . 25.0 111.305 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.86 -42.59 72.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.008 -1.451 . . . . 25.0 110.554 -178.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -85.7 -37.79 19.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -31.39 71.09 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 119.562 -0.256 . . . . 25.0 111.679 -174.135 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.06 -14.4 60.37 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 174.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.63 -39.53 88.59 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 174.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.26 -10.65 57.48 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.568 -0.708 . . . . 25.0 110.529 -176.004 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.7 m -143.37 63.93 1.35 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 121.373 0.606 . . . . 25.0 111.685 -176.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.558 1.171 . . . . 25.0 111.143 -179.626 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.691 1.71 . . . . 25.0 115.173 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 106.13 19.11 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 CA-C-N 114.775 -1.102 . . . . 25.0 111.622 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.35 105.72 16.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.481 177.124 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -147.78 -175.72 4.98 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.429 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -69.11 -29.33 67.38 Favored 'General case' 0 C--O 1.183 -2.408 0 O-C-N 121.863 -0.523 . . . . 25.0 111.615 177.259 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mp 53.38 80.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.394 0.616 . . . . 25.0 111.576 179.109 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.55 163.7 23.58 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.04 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.35 -142.09 42.06 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 108.374 -1.891 . . . . 25.0 108.374 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -59.11 -32.79 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 178.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -57.89 -44.97 87.05 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.994 0.809 . . . . 25.0 110.018 -177.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -57.2 -51.74 68.11 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.454 0.471 . . . . 25.0 112.231 -177.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.88 -29.46 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.441 0.463 . . . . 25.0 112.039 -175.367 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -75.0 -39.63 61.09 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.163 -0.96 . . . . 25.0 113.036 176.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.4 -32.8 70.58 Favored 'General case' 0 C--O 1.268 2.046 0 CA-C-O 118.266 -0.873 . . . . 25.0 108.672 176.185 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.65 -42.34 74.36 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 118.235 -1.386 . . . . 25.0 112.538 175.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.79 -45.54 67.23 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-O 122.324 1.059 . . . . 25.0 110.886 176.829 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.36 -47.79 75.22 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.302 -1.317 . . . . 25.0 112.999 -177.001 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.4 p -75.73 -29.13 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 O-C-N 123.355 0.41 . . . . 25.0 111.078 -173.173 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -48.77 13.14 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 179.031 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 25.59 39.27 Favored Glycine 0 N--CA 1.478 1.436 0 O-C-N 123.536 0.523 . . . . 25.0 113.599 175.714 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -130.86 167.35 19.08 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 123.644 0.778 . . . . 25.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.06 61.24 2.57 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.419 1.088 . . . . 25.0 109.014 176.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.55 -24.19 76.29 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.035 -0.826 . . . . 25.0 111.035 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 C--N 1.305 -1.341 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 CA-C-O 122.961 1.312 . . . . 25.0 115.409 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.18 -37.14 60.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.074 -1.839 . . . . 25.0 112.143 173.712 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.03 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.93 -17.95 64.03 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -174.081 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -84.73 -37.47 20.86 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.218 0.821 . . . . 25.0 113.218 178.057 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.43 -25.27 14.26 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -175.008 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -88.15 43.6 1.14 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.803 1.287 . . . . 25.0 110.003 -176.183 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.95 126.25 7.29 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.39 21.86 2.57 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -173.026 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 mm 33.72 100.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 C-N-CA 127.537 2.335 . . . . 25.0 114.624 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -58.82 149.81 25.65 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.42 -1.263 . . . . 25.0 112.279 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -77.0 169.17 18.83 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.283 0.845 . . . . 25.0 113.283 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.79 -29.86 70.41 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 178.726 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.79 -41.79 67.64 Favored 'General case' 0 C--O 1.193 -1.907 0 O-C-N 121.03 -1.044 . . . . 25.0 110.085 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -89.25 -33.21 17.06 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 118.579 -1.248 . . . . 25.0 108.765 177.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.77 72.06 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -175.703 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.6 -25.98 68.48 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.889 173.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.36 -27.87 68.88 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 120.616 -1.303 . . . . 25.0 109.285 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.92 -15.52 60.17 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.234 -0.916 . . . . 25.0 109.672 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -72.59 -14.46 61.62 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.886 0.741 . . . . 25.0 109.324 175.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 125.369 1.468 . . . . 25.0 114.909 -177.561 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.186 -2.288 0 CA-C-O 122.427 1.108 . . . . 25.0 113.258 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.96 127.2 65.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 178.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.9 30.04 5.82 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.477 -0.764 . . . . 25.0 111.446 -176.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 59.25 177.57 0.08 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-N 114.017 -1.447 . . . . 25.0 113.936 -178.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -92.63 86.18 5.5 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -117.09 142.46 46.96 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 -177.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 -37.5 0.32 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.512 1.133 . . . . 25.0 113.61 -178.646 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.15 -139.2 4.65 Favored Glycine 0 C--O 1.184 -2.988 0 C-N-CA 119.484 -1.341 . . . . 25.0 113.784 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.1 p -57.16 -30.56 64.57 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 123.047 1.403 . . . . 25.0 111.509 -178.364 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -58.74 -34.87 71.87 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.325 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.73 -53.48 32.93 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 -173.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.87 -21.18 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 CA-C-O 121.412 0.625 . . . . 25.0 112.137 -179.728 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.58 -44.6 50.07 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.278 -1.514 . . . . 25.0 108.772 177.448 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.13 79.75 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -178.073 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.69 -43.94 87.7 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.801 0.688 . . . . 25.0 110.143 179.3 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -55.4 -45.75 76.66 Favored 'General case' 0 C--O 1.246 0.881 0 C-N-CA 119.715 -0.794 . . . . 25.0 112.312 172.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.12 -40.27 94.27 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.235 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.2 -24.81 11.59 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 C-N-CA 119.76 -0.776 . . . . 25.0 112.821 -177.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.4 m -78.04 -38.02 45.57 Favored 'General case' 0 C--O 1.256 1.413 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.351 172.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 -88.62 0.43 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.318 -0.944 . . . . 25.0 113.628 179.07 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -160.26 127.9 4.56 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 -175.066 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -148.3 -113.19 0.07 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -177.262 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.4 53.23 0.42 Allowed Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 107.61 -2.196 . . . . 25.0 107.61 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 -172.737 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.143 0 CA-C-O 123.615 1.675 . . . . 25.0 114.439 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 19' ' ' TYR . 4.0 tt -57.78 -38.84 67.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 113.669 -1.266 . . . . 25.0 112.548 -172.217 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.77 -53.22 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 119.37 -0.932 . . . . 25.0 111.216 -174.733 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.97 -31.49 71.85 Favored 'General case' 0 C--O 1.174 -2.913 0 CA-C-O 117.893 -1.051 . . . . 25.0 110.036 178.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.39 -48.47 64.62 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 119.885 1.221 . . . . 25.0 113.279 173.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -26.9 63.28 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.331 1.062 . . . . 25.0 112.844 -177.286 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 35' ' ' HIS . 15.4 t -67.31 -30.39 70.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 120.9 -1.125 . . . . 25.0 113.281 177.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -96.5 -21.19 17.86 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.725 1.75 . . . . 25.0 115.725 175.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -146.13 131.81 18.91 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.128 -0.983 . . . . 25.0 109.608 174.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.84 120.49 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 119.554 1.07 . . . . 25.0 110.465 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 m -65.7 144.65 56.78 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -69.82 136.69 51.08 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 175.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -30.18 71.33 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.59 -0.694 . . . . 25.0 109.331 179.029 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.37 -37.63 84.06 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 119.03 -0.509 . . . . 25.0 111.699 177.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -84.47 -37.28 21.56 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.289 -0.964 . . . . 25.0 110.96 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.04 -35.42 71.3 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.11 -28.39 66.48 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 176.088 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -76.02 -11.21 59.91 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.591 -0.731 . . . . 25.0 112.122 -177.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' HD12 ' A' ' 2' ' ' ILE . 58.3 m-85 -83.25 -19.44 36.39 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.203 -1.777 . . . . 25.0 106.203 174.711 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -82.78 123.65 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 122.104 -0.372 . . . . 25.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 C--O 1.196 -1.744 0 CA-C-O 122.826 1.298 . . . . 25.0 112.012 -172.726 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 119.909 3.3 . . . . 25.0 119.909 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.69 119.73 55.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.704 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -119.25 10.73 12.09 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.69 -1.141 . . . . 25.0 108.374 -177.401 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 61.44 -179.29 0.12 Allowed 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.999 -1.455 . . . . 25.0 108.122 -167.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 7' ' ' CYS . 90.7 m-70 -92.0 -56.43 3.08 Favored 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 119.87 -0.732 . . . . 25.0 112.309 -178.182 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.01 149.46 0.05 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.84 1.256 . . . . 25.0 110.695 -173.416 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.37 43.02 0.45 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.444 -1.687 . . . . 25.0 106.444 -176.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.58 -161.58 21.42 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 107.162 -2.375 . . . . 25.0 107.162 -176.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -56.25 -19.31 13.46 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 170.316 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -54.92 -27.78 45.78 Favored 'General case' 0 CA--C 1.589 2.478 0 C-N-CA 123.621 0.769 . . . . 25.0 111.076 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.3 tp -68.87 -50.35 50.55 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -67.59 -30.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.004 -1.078 . . . . 25.0 108.19 177.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.25 -40.75 97.22 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.175 -1.578 . . . . 25.0 109.119 178.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.48 -41.09 85.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 123.353 1.549 . . . . 25.0 111.023 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -37.2 81.39 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.088 -1.415 . . . . 25.0 112.697 178.243 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.68 -46.98 73.88 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.122 0.487 . . . . 25.0 112.238 173.711 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.0 -33.37 75.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.156 -0.449 . . . . 25.0 111.937 -175.128 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 12.5 p -82.05 -31.46 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 C-N-CA 119.889 -0.725 . . . . 25.0 110.986 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.26 -24.23 54.48 Favored 'General case' 0 C--O 1.192 -1.953 0 C-N-CA 119.756 -0.777 . . . . 25.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.49 -70.9 3.06 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-O 119.642 -0.532 . . . . 25.0 113.945 -179.279 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.19 4.9 0.18 Allowed 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -175.2 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -87.34 7.92 26.67 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.199 -0.938 . . . . 25.0 112.147 -175.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.16 160.79 32.92 Favored Glycine 0 C--O 1.198 -2.11 0 CA-C-O 118.411 -1.216 . . . . 25.0 112.301 177.792 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.488 1.472 0 C-N-CA 127.519 2.328 . . . . 25.0 112.075 177.953 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.72 0 CA-C-O 120.219 -0.211 . . . . 25.0 113.461 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -46.29 -54.87 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.951 0 N-CA-C 115.954 1.835 . . . . 25.0 115.954 -177.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.92 -32.24 33.16 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 O-C-N 119.661 -1.899 . . . . 25.0 109.841 -175.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.64 -48.51 81.37 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 106.053 -1.832 . . . . 25.0 106.053 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -66.52 -46.47 76.08 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 121.438 -0.789 . . . . 25.0 111.621 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -72.66 -18.43 61.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 118.268 -1.373 . . . . 25.0 113.588 -174.507 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.29 -25.57 36.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 173.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -102.21 -22.26 14.21 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.615 1.339 . . . . 25.0 114.615 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -136.54 162.76 32.2 Favored 'General case' 0 C--O 1.196 -1.718 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 173.379 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -86.43 128.32 39.58 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 120.698 -1.251 . . . . 25.0 110.929 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.96 108.96 21.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 172.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -82.09 168.47 17.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -48.66 -45.11 38.26 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.06 -38.24 65.03 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 177.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.17 -41.33 25.51 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.178 -0.951 . . . . 25.0 112.053 176.342 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 tp -59.68 -43.78 93.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 122.48 1.133 . . . . 25.0 111.849 -175.095 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -52.83 -33.75 50.79 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 114.707 -1.133 . . . . 25.0 112.389 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -69.89 -17.88 63.38 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.97 -1.081 . . . . 25.0 112.373 -174.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -78.78 -12.27 60.02 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.1 m -111.5 40.16 2.17 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.312 -1.024 0 CA-C-O 127.04 3.305 . . . . 25.0 111.511 175.013 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 C--O 1.186 -2.272 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.08 129.24 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 124.524 2.107 . . . . 25.0 110.798 -178.571 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.42 118.72 21.57 Favored 'General case' 0 C--O 1.258 1.505 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 178.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -155.95 171.28 20.35 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.65 132.66 40.73 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.862 -1.532 . . . . 25.0 106.862 172.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.04 121.03 40.17 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -176.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 75.6 m -138.76 159.53 41.88 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 112.676 -2.056 . . . . 25.0 110.289 -172.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.2 -138.76 21.32 Favored Glycine 0 C--N 1.312 -0.798 0 CA-C-O 123.924 1.847 . . . . 25.0 113.345 -175.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -65.8 -32.1 73.43 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.095 -1.238 . . . . 25.0 111.35 -175.012 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -60.68 -31.62 70.87 Favored 'General case' 0 C--O 1.193 -1.907 0 CA-C-N 119.251 0.932 . . . . 25.0 111.027 -176.023 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 41' ' ' LEU . 5.3 tt -66.54 -48.16 70.57 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 179.188 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.91 -37.69 79.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.267 -0.896 . . . . 25.0 110.179 -175.116 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.41 -37.2 84.69 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.467 175.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.93 74.09 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 120.498 -1.376 . . . . 25.0 111.397 173.499 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.1 -35.86 81.64 Favored 'General case' 0 CA--C 1.559 1.29 0 O-C-N 124.582 1.176 . . . . 25.0 112.143 174.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.23 -42.99 87.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.917 0.865 . . . . 25.0 112.001 173.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.54 -39.87 92.64 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.601 -1.312 . . . . 25.0 111.925 177.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.34 -28.04 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 CA-C-O 116.226 -1.845 . . . . 25.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -33.56 58.56 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 124.686 1.242 . . . . 25.0 110.918 -178.626 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.41 -103.29 2.8 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 104.448 -3.461 . . . . 25.0 104.448 -168.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.41 175.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.065 1.876 . . . . 25.0 116.065 -179.167 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.19 -27.06 13.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.651 -1.159 . . . . 25.0 109.597 178.031 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.25 1.45 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -177.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.478 0.951 0 CA-C-N 119.565 1.682 . . . . 25.0 107.443 -177.987 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.971 0 CA-C-O 126.582 3.323 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 19' ' ' TYR . 17.7 tt -62.72 -31.43 52.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 O-C-N 118.823 -2.575 . . . . 25.0 111.85 -172.548 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.28 -52.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.111 -0.993 . . . . 25.0 109.951 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -65.15 -25.96 67.97 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 119.446 -0.902 . . . . 25.0 108.873 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.87 -66.19 0.58 Allowed 'General case' 0 C--O 1.204 -1.296 0 O-C-N 123.899 0.75 . . . . 25.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.19 -22.66 65.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.341 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.45 -38.05 74.43 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 119.21 0.914 . . . . 25.0 109.668 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -97.18 -52.06 3.97 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 123.994 0.809 . . . . 25.0 111.997 -177.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.4 m -95.13 113.39 25.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.011 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.39 122.32 7.92 Favored 'Isoleucine or valine' 0 C--O 1.261 1.681 0 CA-C-O 121.51 0.672 . . . . 25.0 110.114 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.22 159.7 15.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 174.795 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -132.03 164.17 26.81 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 -172.128 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HB2' ' CG ' ' B' ' 31' ' ' PHE . 47.2 tp -52.66 -42.57 64.83 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 117.573 -1.203 . . . . 25.0 111.474 -173.113 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.73 -46.52 74.25 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 118.609 0.64 . . . . 25.0 110.775 -178.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -74.88 -40.23 61.06 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 121.092 -1.005 . . . . 25.0 111.596 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.29 -42.06 90.4 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -175.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.7 -32.43 70.5 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -64.58 -16.02 61.99 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 121.076 -1.015 . . . . 25.0 112.606 -176.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 2' ' ' ILE . 72.0 m-85 -78.93 -19.64 51.29 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 25.0 112.121 177.343 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.17 28.47 5.26 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.366 -1.288 . . . . 25.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 C--N 1.394 2.501 0 CA-C-O 127.075 3.321 . . . . 25.0 112.884 174.3 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.407 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 33.6 t80 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.714 0.769 . . . . 25.0 112.536 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.8 116.83 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.547 178.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -81.0 100.7 9.1 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.363 -1.347 . . . . 25.0 107.363 -178.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -136.41 165.09 26.62 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.15 -1.594 . . . . 25.0 109.422 -178.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.57 67.84 1.56 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.483 1.29 . . . . 25.0 114.483 173.87 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.36 125.83 27.9 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 177.192 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -146.8 161.63 40.26 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 103.814 -2.662 . . . . 25.0 103.814 -171.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.96 -150.93 50.97 Favored Glycine 0 C--O 1.255 1.466 0 O-C-N 120.536 -1.352 . . . . 25.0 115.925 -178.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.4 p -59.86 -34.14 72.73 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.521 1.128 . . . . 25.0 112.674 174.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -58.15 -44.63 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 25.0 110.351 -178.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.22 -50.43 73.6 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.74 -23.01 17.54 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.396 -0.922 . . . . 25.0 110.772 -176.205 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -75.17 -36.92 61.45 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 177.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.8 -44.02 86.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.432 1.11 . . . . 25.0 109.739 177.2 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.44 -37.14 86.48 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.876 -1.511 . . . . 25.0 110.586 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.57 -46.31 90.43 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.49 -1.381 . . . . 25.0 114.232 173.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.23 -38.81 92.63 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.447 1.092 . . . . 25.0 112.066 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.58 -37.59 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 N-CA-C 114.98 1.474 . . . . 25.0 114.98 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -165.42 71.65 0.17 Allowed 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.106 -0.997 . . . . 25.0 109.897 175.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.07 -88.66 0.06 OUTLIER Glycine 0 CA--C 1.554 2.512 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 179.663 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 51.52 17.29 0.54 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 118.462 2.764 . . . . 25.0 118.462 175.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -125.96 -7.71 6.63 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 116.723 2.12 . . . . 25.0 116.723 -177.262 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.45 39.17 4.81 Favored Glycine 0 C--O 1.217 -0.922 0 C-N-CA 120.392 -0.908 . . . . 25.0 111.691 177.102 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.489 1.479 0 CA-C-N 117.998 0.899 . . . . 25.0 112.544 178.314 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 N-CA-C 115.331 0.892 . . . . 25.0 115.331 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.5 tt -67.41 -27.13 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.414 -1.639 . . . . 25.0 112.751 -178.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.37 -44.54 80.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 -177.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.25 -29.54 61.73 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 123.881 0.738 . . . . 25.0 112.135 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -65.1 -43.75 91.06 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.59 -55.91 5.21 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 117.81 -1.556 . . . . 25.0 109.07 -178.529 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -54.23 -46.11 72.47 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.233 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -71.61 145.63 48.87 Favored 'General case' 0 C--O 1.181 -2.525 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -173.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 50.32 -134.4 1.52 Allowed 'General case' 0 C--O 1.265 1.871 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.218 -173.772 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.99 127.77 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.895 0 C-N-CA 122.956 0.502 . . . . 25.0 111.78 -173.098 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.19 142.16 31.39 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 123.755 0.822 . . . . 25.0 110.507 174.389 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -120.68 158.44 27.44 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.68 -26.34 67.97 Favored 'General case' 0 N--CA 1.424 -1.737 0 O-C-N 124.185 0.928 . . . . 25.0 112.712 177.023 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.51 -47.56 66.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.464 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.57 -40.34 91.31 Favored 'General case' 0 C--O 1.184 -2.357 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.24 174.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -47.27 83.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 121.517 -0.74 . . . . 25.0 112.762 -175.8 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.17 -25.87 67.15 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 124.477 1.11 . . . . 25.0 109.238 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.15 -10.48 59.42 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.356 -0.84 . . . . 25.0 111.147 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.1 -17.96 61.95 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-O 121.674 0.749 . . . . 25.0 109.233 170.696 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.95 58.59 0.85 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.217 -0.902 . . . . 25.0 110.946 173.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.499 2.013 0 O-C-N 125.93 2.019 . . . . 25.0 114.762 176.78 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 123.667 1.699 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.3 137.83 55.87 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 179.334 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -85.48 123.05 30.48 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.027 175.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.02 176.81 8.51 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 124.889 1.276 . . . . 25.0 111.225 -171.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.2 54.93 1.13 Allowed 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 118.332 0.515 . . . . 25.0 111.623 175.076 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.14 120.65 19.06 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 -175.572 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 t -156.09 172.95 17.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.115 -2.18 . . . . 25.0 105.115 175.479 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.71 -135.15 47.04 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-O 122.568 1.093 . . . . 25.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 86.1 p -62.1 -34.06 75.62 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 113.132 -1.534 . . . . 25.0 112.312 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -72.2 -28.23 63.06 Favored 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.657 -175.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.5 -51.67 58.33 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.835 -1.078 . . . . 25.0 110.705 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -34.71 71.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 124.01 0.819 . . . . 25.0 111.4 177.849 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.9 -48.13 83.22 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.88 0.764 . . . . 25.0 111.345 177.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.21 91.08 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.793 178.079 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.21 -42.4 93.54 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 178.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -62.06 -41.01 97.7 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 121.85 -0.531 . . . . 25.0 110.262 175.614 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.64 -35.66 79.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 117.851 -1.071 . . . . 25.0 109.402 -177.657 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.89 -29.56 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -115.41 -31.71 5.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.182 1.549 . . . . 25.0 115.182 -171.391 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.83 -82.51 1.2 Allowed Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.465 1.346 . . . . 25.0 116.465 175.162 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 57.45 -159.88 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.83 1.652 . . . . 25.0 112.09 -176.517 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -79.33 2.88 19.89 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.839 1.304 . . . . 25.0 110.092 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.35 160.32 35.83 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 114.351 -1.295 . . . . 25.0 110.92 -172.666 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.347 0.478 0 O-C-N 121.166 -1.196 . . . . 25.0 112.079 -177.877 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.314 0 CA-C-O 124.983 2.435 . . . . 25.0 117.341 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -56.92 -40.82 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 111.881 -2.16 . . . . 25.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.73 -52.0 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -48.92 62.51 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.447 176.466 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -62.6 -55.08 30.42 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.726 0.694 . . . . 25.0 111.948 -179.145 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -76.32 -16.84 59.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.614 1.338 . . . . 25.0 114.614 -176.316 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -86.43 -41.57 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 119.564 1.074 . . . . 25.0 111.565 178.418 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -79.2 -17.76 54.26 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -175.518 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -144.31 155.03 43.64 Favored 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.498 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.72 119.14 28.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -176.289 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.19 157.88 16.57 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.885 -1.507 . . . . 25.0 108.765 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -130.65 176.15 8.42 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 -175.339 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.12 -31.91 65.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.521 -1.362 . . . . 25.0 112.587 -176.275 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.03 -48.25 73.67 Favored 'General case' 0 CA--C 1.487 -1.466 0 C-N-CA 122.288 0.235 . . . . 25.0 111.426 177.628 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -76.57 -42.82 41.3 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 119.509 -0.877 . . . . 25.0 110.816 175.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.08 -35.23 78.04 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -169.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.49 -20.59 64.74 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 118.26 -0.876 . . . . 25.0 111.783 174.846 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.57 -22.87 66.73 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 120.645 1.566 . . . . 25.0 110.564 177.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -79.98 -9.86 59.72 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-O 122.723 1.249 . . . . 25.0 112.768 179.591 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -116.47 43.54 2.19 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-N 113.817 -1.538 . . . . 25.0 109.561 175.478 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 C--O 1.198 -1.633 0 CA-C-O 125.27 2.462 . . . . 25.0 112.044 175.254 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 t80 . . . . . 0 C--O 1.191 -2.017 0 CA-C-O 123.455 1.598 . . . . 25.0 113.48 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -127.19 131.46 70.64 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.483 -1.386 . . . . 25.0 114.546 173.809 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -84.78 107.52 16.99 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-N 114.771 -1.104 . . . . 25.0 112.584 -179.077 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -155.12 172.04 18.79 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 104.982 -2.229 . . . . 25.0 104.982 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -76.4 143.92 40.34 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.087 0.858 . . . . 25.0 111.786 177.235 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -125.42 92.11 3.55 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -172.846 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -97.48 -54.95 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -174.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.47 -90.94 0.53 Allowed Glycine 0 C--N 1.345 1.059 0 CA-C-N 113.01 -1.905 . . . . 25.0 111.126 -175.154 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.3 91.44 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 -178.668 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -59.29 -39.22 82.29 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 122.61 0.364 . . . . 25.0 110.253 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.64 -54.85 37.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.067 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.428 HG13 ' CE1' ' B' ' 54' ' ' PHE . 63.8 t -58.36 -44.13 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.452 0 CA-C-O 120.724 0.297 . . . . 25.0 111.263 -179.239 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.11 -52.26 66.11 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 124.975 1.422 . . . . 25.0 111.299 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.78 79.16 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 -173.717 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.24 -40.71 86.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -66.59 -37.03 84.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 123.704 0.628 . . . . 25.0 110.199 176.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -69.97 -30.03 67.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.323 0.51 . . . . 25.0 110.139 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.77 -50.55 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-O 121.255 0.55 . . . . 25.0 112.0 179.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 12.71 3.14 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 114.44 1.274 . . . . 25.0 114.44 -168.491 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.71 -58.51 10.13 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 117.037 1.575 . . . . 25.0 117.037 -167.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.24 -134.49 1.21 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-O 117.849 -1.072 . . . . 25.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.38 -0.23 55.01 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.556 1.169 . . . . 25.0 111.206 175.627 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.57 -27.28 67.77 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 119.234 2.454 . . . . 25.0 119.234 -174.238 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.428 ' CE1' HG13 ' B' ' 42' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.802 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.887 0 CA-C-O 126.053 3.03 . . . . 25.0 114.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 19' ' ' TYR . 13.4 tt -59.42 -33.6 51.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 112.44 -1.88 . . . . 25.0 113.761 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.13 -52.0 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.68 -35.96 82.72 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -61.29 -55.7 28.85 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -44.04 90.61 Favored 'General case' 0 CA--C 1.563 1.469 0 O-C-N 122.044 -0.41 . . . . 25.0 111.507 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.76 -14.26 20.2 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.189 -0.91 . . . . 25.0 113.407 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.3 p -116.61 -20.68 9.48 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -136.27 121.18 18.71 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.428 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mm -56.25 123.78 8.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.0 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.3 112.12 17.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 124.389 1.056 . . . . 25.0 113.075 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 146.79 50.7 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.22 -38.37 68.35 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -57.18 -41.37 79.16 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.372 -0.83 . . . . 25.0 110.108 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -76.28 -42.05 46.82 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 121.479 0.657 . . . . 25.0 111.182 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.79 -38.61 91.72 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.85 -31.98 71.4 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.58 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.26 -19.71 65.57 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.162 -1.015 . . . . 25.0 112.828 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 2' ' ' ILE . 70.5 m-85 -79.18 -20.31 48.74 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 121.354 -0.841 . . . . 25.0 112.416 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -157.12 118.18 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 123.102 1.429 . . . . 25.0 110.71 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--O 1.198 -1.619 0 CA-C-O 123.718 1.723 . . . . 25.0 112.47 178.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 CA--C 1.461 -2.473 0 CA-C-O 122.254 1.026 . . . . 25.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -89.82 128.99 41.46 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 CA-C-O 124.033 1.873 . . . . 25.0 106.129 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.94 102.77 8.46 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.201 -1.818 . . . . 25.0 106.41 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -132.73 169.6 16.46 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -74.4 -27.15 60.5 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt 45.22 86.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 175.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -92.85 154.89 17.97 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.479 -0.763 . . . . 25.0 112.313 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.97 -131.19 48.49 Favored Glycine 0 CA--C 1.548 2.098 0 N-CA-C 115.772 1.069 . . . . 25.0 115.772 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.8 m -66.25 -31.26 71.96 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 123.946 0.898 . . . . 25.0 111.735 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -58.29 -35.48 71.87 Favored 'General case' 0 C--O 1.208 -1.081 0 O-C-N 121.424 -0.797 . . . . 25.0 110.918 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.01 -48.3 74.41 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.612 0.968 . . . . 25.0 113.612 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.22 -28.55 23.31 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.747 0 O-C-N 120.432 -1.418 . . . . 25.0 110.191 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.09 -46.09 68.63 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 117.241 -1.361 . . . . 25.0 108.059 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.01 86.08 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.664 1.12 . . . . 25.0 109.576 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.57 -36.16 80.4 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-O 121.284 0.564 . . . . 25.0 110.351 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.15 -40.64 90.74 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.061 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.73 -43.49 96.33 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.019 0.824 . . . . 25.0 109.592 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.21 -31.16 11.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -79.79 -38.39 33.15 Favored 'General case' 0 C--O 1.195 -1.789 0 O-C-N 121.067 -1.021 . . . . 25.0 108.436 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.48 90.93 0.36 Allowed Glycine 0 N--CA 1.423 -2.181 0 CA-C-O 121.231 0.351 . . . . 25.0 112.495 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.48 167.64 0.17 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 174.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 56.93 47.09 18.4 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 114.516 -1.22 . . . . 25.0 112.162 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 127.48 1.64 Allowed Glycine 0 CA--C 1.497 -1.06 0 N-CA-C 107.492 -2.243 . . . . 25.0 107.492 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 68.78 123.66 0.03 OUTLIER 'General case' 0 C--N 1.353 0.719 0 O-C-N 125.767 1.51 . . . . 25.0 111.336 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -140.76 68.75 1.34 Allowed 'General case' 0 C--O 1.187 -2.22 0 O-C-N 120.623 -1.298 . . . . 25.0 110.161 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -147.77 137.67 22.73 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -141.75 136.48 15.38 Favored Pre-proline 0 C--O 1.253 1.275 0 CA-C-N 114.142 -1.39 . . . . 25.0 108.46 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -77.02 156.93 34.34 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 118.053 -0.832 . . . . 25.0 112.618 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -138.89 33.61 2.18 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 123.925 1.821 . . . . 25.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.236 0 CA-C-O 123.746 1.736 . . . . 25.0 110.131 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 125.024 2.458 . . . . 25.0 113.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -52.65 -44.04 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 112.646 -1.777 . . . . 25.0 111.216 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.33 -52.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.876 -0.515 . . . . 25.0 111.226 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.88 -26.49 64.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.45 -0.5 . . . . 25.0 112.114 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -73.63 -39.46 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.595 -0.442 . . . . 25.0 111.199 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -32.27 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -176.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.1 m -72.19 -1.86 16.63 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 p -107.9 -5.94 16.92 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.312 0.486 . . . . 25.0 112.312 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -150.64 -170.01 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 -174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.69 138.12 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.2 m -103.73 151.52 22.92 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.98 151.16 49.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.788 0.435 . . . . 25.0 110.839 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -58.09 -36.33 72.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 25.0 112.141 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.48 -39.36 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.438 0.637 . . . . 25.0 111.378 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -87.7 -36.78 17.2 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.98 -0.45 . . . . 25.0 110.349 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.4 -38.66 71.82 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.038 0.447 . . . . 25.0 111.174 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -60.88 -24.97 66.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.35 -28.23 68.5 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.99 2.75 48.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.99 0.424 . . . . 25.0 111.327 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.93 10.49 32.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 122.349 1.071 . . . . 25.0 109.549 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 p30 . . . . . 0 C--O 1.216 -0.68 0 CA-C-O 123.725 1.726 . . . . 25.0 111.737 177.274 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.69 146.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.24 123.4 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -145.89 154.52 42.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.198 -168.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -74.6 120.69 20.5 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.21 120.54 33.47 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 48.6 t -155.26 157.31 37.07 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.94 -145.23 49.16 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 111.159 -0.777 . . . . 25.0 111.159 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p -58.55 -29.82 66.64 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 122.628 -0.336 . . . . 25.0 111.866 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.76 -32.49 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.09 -47.67 60.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.75 -39.13 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.201 0.524 . . . . 25.0 110.166 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.42 -40.41 85.53 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.917 -0.489 . . . . 25.0 111.638 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.99 91.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.58 -41.09 96.5 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.55 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -60.34 -45.21 94.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.873 0.368 . . . . 25.0 111.272 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.33 -35.08 75.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.875 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.0 -30.44 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.336 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.25 -44.36 25.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.649 -0.657 . . . . 25.0 110.66 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.48 5.13 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 116.14 1.216 . . . . 25.0 116.14 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.49 -0.17 28.41 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 50.95 33.03 8.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 116.871 2.174 . . . . 25.0 116.871 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.59 27.8 15.46 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 115.419 0.928 . . . . 25.0 115.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.39 -23.12 30.22 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.902 2.186 . . . . 25.0 116.902 -171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.25 112.91 8.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -146.78 143.24 28.51 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.63 152.74 53.57 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 104.356 -2.461 . . . . 25.0 104.356 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.17 142.73 42.46 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 116.131 -2.113 . . . . 25.0 109.798 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -125.93 73.99 1.39 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 121.074 0.464 . . . . 25.0 111.962 -176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.201 -1.451 0 CA-C-O 123.796 1.76 . . . . 25.0 112.279 179.028 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.71 0 CA-C-O 124.807 2.337 . . . . 25.0 112.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -45.85 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 112.452 -1.874 . . . . 25.0 111.736 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.71 -48.74 74.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 122.057 -0.402 . . . . 25.0 111.283 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.91 -35.17 79.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.994 -0.682 . . . . 25.0 110.053 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -61.16 -51.21 70.02 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 110.62 -0.141 . . . . 25.0 110.62 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -72.85 -26.46 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.03 -48.06 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.793 -0.567 . . . . 25.0 112.294 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.5 p -84.15 -38.5 20.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 25.0 112.206 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -113.21 168.77 9.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -88.71 116.62 30.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -93.74 122.84 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -71.6 156.39 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.47 -0.787 . . . . 25.0 109.764 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.42 -28.69 65.48 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 111.519 0.192 . . . . 25.0 111.519 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -64.21 -40.97 97.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.36 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -72.18 -39.91 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.885 0.374 . . . . 25.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.18 -26.43 67.71 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -70.82 -16.32 62.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.356 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -87.05 -5.83 58.92 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.607 0.241 . . . . 25.0 111.188 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.18 97.1 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 125.522 1.529 . . . . 25.0 112.79 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 122.63 1.205 . . . . 25.0 113.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.5 t -117.9 119.28 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.522 -0.736 . . . . 25.0 109.587 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -75.04 106.16 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.55 172.17 14.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 -174.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -80.07 139.68 36.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.651 -1.24 . . . . 25.0 107.651 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.7 121.65 25.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.981 0.42 . . . . 25.0 110.481 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -126.99 -159.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.44 135.03 1.67 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.3 m 65.04 -49.55 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -63.92 -40.13 95.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.676 -0.64 . . . . 25.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -65.3 -43.37 91.29 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.493 -0.321 . . . . 25.0 110.5 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.33 -43.84 98.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -66.49 -43.51 85.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.694 0.283 . . . . 25.0 110.946 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.03 97.2 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -35.15 79.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.903 0.335 . . . . 25.0 111.903 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.8 -45.34 93.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.77 -37.26 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.36 -42.26 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.095 0.474 . . . . 25.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -40.94 24.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.72 -74.06 0.46 Allowed Glycine 0 C--O 1.221 -0.66 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.38 -34.69 68.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -168.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.26 24.49 1.6 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.84 110.67 3.7 Favored Glycine 0 C--O 1.216 -1.011 0 CA-C-O 118.927 -0.929 . . . . 25.0 111.843 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 67.45 130.81 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -109.64 36.28 3.03 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.353 -0.839 . . . . 25.0 112.414 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.1 t80 56.56 116.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 118.023 2.601 . . . . 25.0 118.023 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.6 108.52 15.84 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.541 -0.724 . . . . 25.0 110.408 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.29 149.26 21.76 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 117.222 -1.385 . . . . 25.0 112.57 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -83.45 90.0 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.208 -1.109 0 CA-C-O 122.53 1.157 . . . . 25.0 112.607 179.456 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.984 0 CA-C-O 123.696 1.72 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.408 HD12 ' CD2' ' A' ' 19' ' ' TYR . 12.3 tt -57.42 -32.98 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 119.302 -2.293 . . . . 25.0 112.1 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.41 -46.98 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.195 -0.602 . . . . 25.0 112.029 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.53 -33.63 76.38 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -66.22 -52.53 46.97 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.83 -0.544 . . . . 25.0 110.294 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.1 m -68.41 -21.98 64.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -87.49 -43.43 12.05 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 120.873 -1.142 . . . . 25.0 113.913 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -80.45 -27.73 37.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 25.0 112.364 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -124.92 164.91 19.07 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -83.56 124.22 39.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.42 113.28 26.24 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.954 0.883 . . . . 25.0 109.822 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -76.4 157.6 32.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.598 -0.728 . . . . 25.0 111.436 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.64 -36.91 72.47 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -55.57 -46.98 77.12 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 122.359 1.076 . . . . 25.0 112.57 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -76.21 -36.65 58.5 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.827 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' CE2' ' B' ' 31' ' ' PHE . 1.0 OUTLIER -61.85 -35.93 79.73 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 122.037 -0.414 . . . . 25.0 110.03 -177.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -61.56 -26.48 67.98 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.322 -0.861 . . . . 25.0 111.597 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -18.96 64.04 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.134 -0.627 . . . . 25.0 112.307 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 2' ' ' ILE . 96.6 m-85 -81.26 -17.03 50.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.994 -0.441 . . . . 25.0 109.981 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -86.76 -12.74 47.26 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 126.08 2.848 . . . . 25.0 113.713 179.369 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD22 ' A' ' 16' ' ' LEU . 26.8 t80 . . . . . 0 C--O 1.194 -1.85 0 CA-C-O 123.389 1.566 . . . . 25.0 112.83 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.78 145.12 21.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 105.905 -1.887 . . . . 25.0 105.905 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -76.43 99.32 4.84 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 122.763 1.268 . . . . 25.0 111.961 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -133.91 175.7 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.388 -1.278 . . . . 25.0 108.346 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -77.71 111.52 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 34.4 mt -97.98 124.77 42.6 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 106.392 -1.707 . . . . 25.0 106.392 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 74.7 m -136.28 160.46 38.63 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 123.554 0.534 . . . . 25.0 111.151 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.13 -143.5 37.32 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.778 -0.646 . . . . 25.0 113.205 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -32.65 70.76 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.36 -33.12 73.12 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.046 -0.409 . . . . 25.0 110.579 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.92 -59.72 3.27 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.46 -31.7 53.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.924 -0.71 . . . . 25.0 110.563 -174.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -71.79 -35.78 70.11 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -41.1 88.94 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 120.905 0.383 . . . . 25.0 110.164 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.99 -42.5 97.19 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.146 -0.934 . . . . 25.0 108.698 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.985 0.422 . . . . 25.0 111.823 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.05 -41.55 98.26 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.946 -0.471 . . . . 25.0 111.852 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.75 -30.57 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -37.0 78.63 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.648 -0.657 . . . . 25.0 111.874 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.1 33.17 86.53 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.569 -1.013 . . . . 25.0 110.569 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -125.18 146.1 49.66 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.128 -0.631 . . . . 25.0 110.667 -174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -75.22 40.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.54 175.69 28.16 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.471 -0.786 . . . . 25.0 114.598 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 64.28 125.38 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -75.96 108.44 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 25.0 110.345 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -154.47 117.85 4.55 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.27 0.557 . . . . 25.0 111.028 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.67 95.89 7.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-O 121.793 0.806 . . . . 25.0 109.1 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.35 152.09 34.29 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 117.257 -1.362 . . . . 25.0 112.393 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.48 -26.68 7.83 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.571 0.701 . . . . 25.0 111.586 174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.094 1.902 . . . . 25.0 112.55 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.731 0 CA-C-O 123.582 1.657 . . . . 25.0 114.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -47.88 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.589 1.556 . . . . 25.0 111.862 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.25 -46.02 91.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 110.066 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.25 -42.71 99.09 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 123.253 0.346 . . . . 25.0 110.66 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.38 -50.04 69.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.53 0.519 . . . . 25.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -25.58 61.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -20.07 62.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.746 -0.382 . . . . 25.0 110.98 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 p -117.67 -22.9 7.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -107.73 165.02 11.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.91 123.58 36.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.55 -0.719 . . . . 25.0 109.573 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -79.03 154.09 29.73 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 p -149.78 151.4 33.51 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 107.405 -1.332 . . . . 25.0 107.405 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.23 -38.41 86.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.823 0.821 . . . . 25.0 110.722 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.42 -46.18 83.8 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.861 -0.608 . . . . 25.0 111.26 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.61 -38.86 67.67 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.517 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -28.92 69.65 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.77 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.795 -1.19 . . . . 25.0 110.587 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -68.94 -14.85 63.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -97.94 12.59 33.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.3 t -59.4 -30.69 68.62 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.682 0.754 . . . . 25.0 110.947 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 124.747 2.213 . . . . 25.0 111.839 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 123.195 1.474 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.78 114.19 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -79.65 90.53 5.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -148.28 179.6 7.65 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -76.14 78.86 2.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.7 134.92 49.2 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 t -152.96 167.96 27.42 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 105.243 -2.132 . . . . 25.0 105.243 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.28 -148.64 50.35 Favored Glycine 0 C--N 1.31 -0.871 0 C-N-CA 120.477 -0.868 . . . . 25.0 113.497 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -61.13 -32.21 71.91 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.671 0.748 . . . . 25.0 112.882 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -65.38 -32.83 74.67 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.1 -50.88 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.22 -30.02 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 120.544 -0.462 . . . . 25.0 110.536 -176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -48.24 75.6 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.37 96.86 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.15 0.976 . . . . 25.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.47 -38.73 90.68 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 121.772 -0.58 . . . . 25.0 110.713 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' B' ' 51' ' ' GLU . 31.4 t80 -57.55 -52.77 64.07 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 175.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.32 -34.15 76.06 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.473 1.108 . . . . 25.0 113.051 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.15 -46.05 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 120.699 -0.4 . . . . 25.0 110.148 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -7.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.998 2.221 . . . . 25.0 116.998 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.71 38.2 3.21 Favored Glycine 0 C--N 1.308 -1.025 0 O-C-N 121.241 -0.912 . . . . 25.0 115.162 -161.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HA ' ' CE2' ' B' ' 46' ' ' TYR . 22.3 mt-10 -61.76 -38.62 88.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 118.026 0.913 . . . . 25.0 111.549 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -88.28 -2.23 58.48 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.671 -0.643 . . . . 25.0 110.684 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.09 -29.02 10.79 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 116.043 -0.526 . . . . 25.0 113.361 -175.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -134.75 103.63 5.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.179 0.99 . . . . 25.0 111.43 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -73.54 136.87 44.1 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 124.425 1.078 . . . . 25.0 108.673 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -149.79 141.98 24.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.91 89.61 48.33 Favored Pre-proline 0 C--N 1.347 0.462 0 CA-C-O 121.224 0.535 . . . . 25.0 109.647 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.86 105.73 1.86 Allowed 'Trans proline' 0 CA--C 1.518 -0.32 0 CA-C-O 121.828 0.678 . . . . 25.0 112.317 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -136.79 94.07 2.93 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.492 -0.755 . . . . 25.0 109.38 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.211 -0.951 0 CA-C-O 125.084 2.373 . . . . 25.0 110.971 178.341 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.065 0 N-CA-C 109.124 -1.59 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.48 -37.67 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 119.669 -2.077 . . . . 25.0 115.929 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.68 -46.41 92.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 C-N-CA 119.391 -0.924 . . . . 25.0 110.176 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.73 -43.11 98.29 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.4 -34.51 41.78 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 124.726 1.266 . . . . 25.0 111.491 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.96 -46.53 8.81 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 119.099 0.863 . . . . 25.0 112.983 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -63.56 -11.13 22.11 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p -90.22 6.46 42.71 Favored 'General case' 0 N--CA 1.437 -1.118 0 O-C-N 121.299 -0.876 . . . . 25.0 111.576 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -135.68 -178.98 5.37 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 125.207 1.403 . . . . 25.0 109.67 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.86 -33.49 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 121.103 -0.998 . . . . 25.0 111.829 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m 66.33 42.51 2.99 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 123.896 0.878 . . . . 25.0 110.492 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -62.2 159.95 13.88 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.41 -27.06 68.27 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.21 -46.67 65.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.379 -1.282 . . . . 25.0 109.03 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -80.48 -40.87 25.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.27 1.028 . . . . 25.0 110.429 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.22 -32.51 74.12 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -66.05 -25.43 67.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.584 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.71 -22.54 66.96 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.026 -1.046 . . . . 25.0 111.874 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -84.66 0.94 48.5 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.606 0.717 . . . . 25.0 110.592 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -98.88 -6.36 29.12 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 123.978 1.847 . . . . 25.0 113.284 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 m -124.52 149.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -102.03 109.39 21.09 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 107.007 -1.479 . . . . 25.0 107.007 -174.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.31 168.0 21.09 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 100.941 -3.725 . . . . 25.0 100.941 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -68.2 141.07 56.08 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.176 1.465 . . . . 25.0 111.337 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.4 123.99 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.914 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -147.4 170.86 16.47 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.94 -143.81 46.88 Favored Glycine 0 C--O 1.209 -1.434 0 C-N-CA 120.682 -0.77 . . . . 25.0 113.463 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.1 t -61.06 -32.24 71.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.601 -0.94 . . . . 25.0 112.74 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -63.23 -31.27 72.38 Favored 'General case' 0 C--O 1.181 -2.518 0 O-C-N 121.115 -0.99 . . . . 25.0 110.332 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -67.16 -44.94 78.47 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.906 -1.121 . . . . 25.0 111.093 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 m -82.17 -21.57 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.591 0 O-C-N 124.21 0.944 . . . . 25.0 109.813 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -66.58 -43.86 83.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.72 1.248 . . . . 25.0 108.967 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.29 64.46 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 119.721 -1.862 . . . . 25.0 109.293 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -41.03 93.15 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.954 0.883 . . . . 25.0 110.237 173.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.89 -41.13 91.92 Favored 'General case' 0 N--CA 1.414 -2.239 0 O-C-N 121.056 -1.027 . . . . 25.0 109.968 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.59 -40.46 92.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.53 0.566 . . . . 25.0 112.53 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.0 -34.11 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 9.75 1.29 Allowed 'General case' 0 C--O 1.279 2.615 0 N-CA-C 115.078 1.511 . . . . 25.0 115.078 -175.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.34 62.43 4.57 Favored Glycine 0 C--O 1.208 -1.525 0 C-N-CA 119.188 -1.482 . . . . 25.0 114.226 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.29 -27.83 68.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.83 1.252 . . . . 25.0 113.792 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -118.17 -16.94 9.69 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.342 0.591 . . . . 25.0 110.612 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.67 26.25 Favored Glycine 0 N--CA 1.436 -1.347 0 N-CA-C 109.092 -1.603 . . . . 25.0 109.092 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -100.24 -37.67 8.81 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 122.146 -0.62 . . . . 25.0 111.723 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -157.91 108.11 2.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.121 0.962 . . . . 25.0 112.499 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -154.23 135.69 14.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.817 -1.083 . . . . 25.0 109.33 169.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.1 m -104.76 106.34 54.49 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 115.089 -0.96 . . . . 25.0 109.109 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -74.31 162.13 39.05 Favored 'Trans proline' 0 C--O 1.211 -0.83 0 C-N-CA 116.032 -2.178 . . . . 25.0 111.955 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -138.47 21.38 2.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 124.121 1.915 . . . . 25.0 110.422 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.196 -1.751 0 CA-C-N 112.969 -1.923 . . . . 25.0 110.495 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 CA-C-O 124.899 2.388 . . . . 25.0 112.404 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -55.71 -32.74 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 112.628 -1.786 . . . . 25.0 112.814 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.88 -52.73 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.899 -0.501 . . . . 25.0 110.495 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -72.6 -24.52 61.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.948 0.404 . . . . 25.0 110.92 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -66.84 -39.85 87.77 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 122.229 -0.294 . . . . 25.0 110.857 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -28.95 15.23 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 115.173 1.546 . . . . 25.0 115.173 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -82.17 37.51 0.5 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.454 0.702 . . . . 25.0 112.105 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -125.91 -72.69 0.65 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -142.74 41.09 1.56 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt 68.33 107.6 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.991 1.317 . . . . 25.0 112.256 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.23 144.08 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.804 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.8 p -71.17 149.29 46.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.01 -35.75 75.74 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.833 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -56.86 -43.74 81.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.257 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -78.54 -37.96 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.917 0.389 . . . . 25.0 110.16 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.36 -39.47 83.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.822 0.344 . . . . 25.0 111.474 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.32 -20.9 66.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.83 -18.76 63.46 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.531 -0.731 . . . . 25.0 110.523 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -86.49 1.73 50.46 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.79 -11.66 61.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.899 0.856 . . . . 25.0 109.899 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 123.065 1.412 . . . . 25.0 114.802 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 123.536 1.636 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 m -98.3 55.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 122.981 1.372 . . . . 25.0 109.706 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.04 35.18 0.13 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 117.576 2.435 . . . . 25.0 117.576 -174.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 60.32 170.96 0.09 Allowed 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.74 91.96 8.79 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 84.8 mt -87.52 131.98 34.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.391 -0.822 . . . . 25.0 110.822 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 67.0 m -140.04 -71.59 0.38 Allowed 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.02 -143.63 3.73 Favored Glycine 0 N--CA 1.465 0.63 0 CA-C-N 116.388 -0.369 . . . . 25.0 113.312 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -56.09 -18.85 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.991 1.848 . . . . 25.0 115.991 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -30.95 71.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.577 -0.702 . . . . 25.0 110.292 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.05 -45.69 76.66 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -37.58 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 25.0 109.427 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.74 -43.83 92.09 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 120.364 0.126 . . . . 25.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.67 79.57 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.584 -0.697 . . . . 25.0 109.181 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.38 -32.07 71.98 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -72.7 -39.98 66.58 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.98 -31.24 72.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.708 -0.62 . . . . 25.0 110.805 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.51 -48.56 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 113.836 1.05 . . . . 25.0 113.836 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.7 m -112.07 -5.97 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -171.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.52 57.18 3.77 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 116.264 1.265 . . . . 25.0 116.264 -170.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.48 -61.84 2.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.036 0.418 . . . . 25.0 111.514 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -167.66 40.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.21 25.88 0.89 Allowed Glycine 0 C--O 1.212 -1.248 0 N-CA-C 117.279 1.671 . . . . 25.0 117.279 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -81.8 -17.95 45.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.448 1.124 . . . . 25.0 112.973 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.33 169.67 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -139.26 131.16 27.7 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.085 -1.821 . . . . 25.0 106.085 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.15 104.06 7.29 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 105.902 -1.888 . . . . 25.0 105.902 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.42 127.3 15.46 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.984 -2.21 . . . . 25.0 111.208 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -162.06 -171.93 3.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 103.86 -2.644 . . . . 25.0 103.86 -176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.203 -1.368 0 CA-C-O 123.873 1.797 . . . . 25.0 112.444 171.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.35 0 N-CA-C 115.433 0.933 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.55 -33.66 45.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.182 -1.187 . . . . 25.0 113.356 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.63 -54.24 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.496 -0.764 . . . . 25.0 110.656 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.75 -24.23 60.93 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.526 0.516 . . . . 25.0 112.01 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.81 -40.54 88.1 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.187 -0.321 . . . . 25.0 111.654 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.73 -35.94 10.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -85.96 53.88 2.94 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 122.236 1.017 . . . . 25.0 112.13 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.49 -54.96 0.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.549 -1.205 . . . . 25.0 108.554 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -125.7 18.02 8.04 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt 62.64 84.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.144 0.977 . . . . 25.0 111.924 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -64.75 136.34 56.82 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 121.602 0.715 . . . . 25.0 109.702 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -86.2 163.77 17.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 114.906 -1.043 . . . . 25.0 111.342 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.41 -28.1 58.37 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.53 -44.48 96.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.701 -1.222 . . . . 25.0 107.701 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.24 -40.92 62.08 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.774 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.76 -34.34 77.02 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.694 -0.629 . . . . 25.0 112.546 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -65.42 -21.72 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.762 -0.586 . . . . 25.0 111.518 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -65.91 -21.13 66.42 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.464 -0.772 . . . . 25.0 110.08 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.3 -0.04 57.16 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.52 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -100.45 100.61 11.4 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.077 -1.014 . . . . 25.0 109.013 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 124.381 2.039 . . . . 25.0 111.297 176.145 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 123.315 1.531 . . . . 25.0 114.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.31 107.05 18.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 O-C-N 120.159 -1.588 . . . . 25.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.98 100.64 2.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.057 -0.974 . . . . 25.0 112.993 173.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.03 175.74 7.51 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.47 102.98 9.07 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 121.598 0.713 . . . . 25.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.01 79.74 6.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 112.804 -1.998 . . . . 25.0 107.545 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 77.1 m -127.51 163.36 24.3 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.417 -2.438 . . . . 25.0 104.417 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.93 -142.25 47.49 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 119.267 -1.445 . . . . 25.0 110.175 172.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -65.89 -28.38 68.9 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.193 -1.181 . . . . 25.0 110.126 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -59.69 -32.17 70.25 Favored 'General case' 0 C--O 1.251 1.153 0 O-C-N 120.96 -1.088 . . . . 25.0 111.424 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.35 -52.5 58.02 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.131 0.967 . . . . 25.0 110.567 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.81 -21.52 14.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.891 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.46 -50.47 52.22 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-O 121.43 0.633 . . . . 25.0 109.642 174.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.17 96.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.015 -0.993 . . . . 25.0 110.68 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.73 -40.91 98.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.27 -43.6 94.31 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.597 0.713 . . . . 25.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.08 -36.23 83.35 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.774 -0.579 . . . . 25.0 112.301 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.7 p -87.19 -31.94 6.16 Favored 'Isoleucine or valine' 0 C--O 1.26 1.636 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.4 20.54 0.74 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 116.242 1.942 . . . . 25.0 116.242 -174.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.02 41.4 2.61 Favored Glycine 0 C--O 1.234 0.111 0 O-C-N 120.032 -1.668 . . . . 25.0 111.974 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.13 -38.02 87.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.586 0.754 . . . . 25.0 111.403 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -79.17 -28.44 42.72 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.717 0.77 . . . . 25.0 109.51 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.82 159.26 31.57 Favored Glycine 0 N--CA 1.434 -1.471 0 CA-C-N 113.807 -1.542 . . . . 25.0 111.116 -173.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.48 -10.8 42.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.835 1.421 . . . . 25.0 114.835 -177.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 48.15 41.61 15.92 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.885 0.874 . . . . 25.0 113.213 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -131.58 145.16 51.57 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 35.4 p -119.04 92.43 45.22 Favored Pre-proline 0 N--CA 1.485 1.276 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.26 151.44 38.39 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -140.95 119.35 12.22 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 173.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 175.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 N-CA-C 117.098 1.599 . . . . 25.0 117.098 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.9 tt -51.46 -41.93 27.59 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 125.475 1.338 . . . . 25.0 114.086 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.6 -56.13 12.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 O-C-N 121.674 -0.641 . . . . 25.0 110.784 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.5 -24.32 67.41 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 118.292 -0.861 . . . . 25.0 109.958 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -80.39 -42.44 22.82 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -74.63 -25.34 59.16 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.359 -1.337 . . . . 25.0 112.614 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -68.63 -18.1 64.24 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.628 -0.67 . . . . 25.0 111.27 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -117.06 10.8 14.04 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 114.925 -1.034 . . . . 25.0 112.718 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -142.49 -173.64 3.92 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 118.104 0.411 . . . . 25.0 111.396 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -89.59 -40.71 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 O-C-N 120.741 -1.225 . . . . 25.0 113.578 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.2 m 54.2 86.81 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.263 1.425 . . . . 25.0 112.299 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -65.51 167.11 9.31 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.746 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' B' ' 31' ' ' PHE . 49.3 tp -63.26 -32.26 73.62 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.381 -0.824 . . . . 25.0 111.799 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.31 1.053 . . . . 25.0 112.237 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -71.65 -44.68 63.87 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 114.947 -1.024 . . . . 25.0 110.495 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.01 -39.49 94.91 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.733 -1.187 . . . . 25.0 109.477 -173.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.19 -24.93 60.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.527 0.517 . . . . 25.0 111.059 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -71.74 -14.98 62.17 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.11 -0.994 . . . . 25.0 112.022 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 2' ' ' ILE . 54.9 m-85 -91.17 -7.77 50.53 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.315 0.646 . . . . 25.0 111.973 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 m -115.89 11.77 15.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.906 1.379 . . . . 25.0 111.354 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 CA--C 1.585 2.3 0 CA-C-O 127.993 3.759 . . . . 25.0 110.821 -178.689 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 13' ' ' LEU . 55.9 t80 . . . . . 0 N--CA 1.519 3.019 0 CA-C-O 126.091 2.853 . . . . 25.0 113.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 31.1 m -117.82 135.79 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.638 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -102.34 125.11 48.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.682 -1.145 . . . . 25.0 109.452 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -161.43 175.44 12.18 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -68.41 136.11 52.79 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.74 123.3 40.2 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 t -139.87 -58.98 0.56 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 -128.96 4.24 Favored Glycine 0 C--O 1.2 -1.972 0 CA-C-N 118.816 0.734 . . . . 25.0 111.906 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -58.45 -35.12 71.64 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.583 -1.539 . . . . 25.0 113.383 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -55.66 -35.82 66.39 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.49 -55.69 10.91 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 124.874 1.359 . . . . 25.0 112.865 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.33 -32.47 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 O-C-N 122.017 -0.427 . . . . 25.0 110.162 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.65 -48.31 75.25 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 122.161 -0.337 . . . . 25.0 110.193 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.41 80.87 Favored 'General case' 0 C--O 1.195 -1.785 0 C-N-CA 118.176 -1.409 . . . . 25.0 107.875 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.48 -41.77 90.57 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -67.61 -43.07 81.31 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 124.421 1.075 . . . . 25.0 108.729 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.04 -45.26 82.06 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 119.035 -0.507 . . . . 25.0 110.94 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.79 -28.45 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 119.014 0.825 . . . . 25.0 111.969 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -39.69 68.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.85 72.89 Favored Glycine 0 C--O 1.218 -0.876 0 O-C-N 125.254 1.596 . . . . 25.0 112.381 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.07 150.02 20.71 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.493 1.139 . . . . 25.0 112.162 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -87.14 48.81 1.7 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.938 -1.028 . . . . 25.0 111.726 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.04 -130.92 2.64 Favored Glycine 0 C--O 1.254 1.357 0 N-CA-C 108.652 -1.779 . . . . 25.0 108.652 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 68.07 -20.67 0.13 Allowed 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 115.931 1.826 . . . . 25.0 115.931 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -98.63 157.99 15.9 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.695 1.236 . . . . 25.0 109.879 170.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -140.17 127.15 20.79 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.2 p -142.49 149.73 51.96 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 103.325 -2.843 . . . . 25.0 103.325 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.02 143.37 59.83 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 113.418 -3.921 . . . . 25.0 112.377 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -77.54 94.49 4.33 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.56 1.354 0 CA-C-O 125.751 2.691 . . . . 25.0 110.687 -176.361 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.951 0 N-CA-C 117.505 1.762 . . . . 25.0 117.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.536 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.8 tt -47.02 -45.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 O-C-N 118.979 -2.483 . . . . 25.0 115.913 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.12 -50.24 65.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 121.224 -0.922 . . . . 25.0 110.832 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -32.58 71.05 Favored 'General case' 0 C--O 1.19 -2.028 0 C-N-CA 119.416 -0.914 . . . . 25.0 109.485 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -66.32 -44.76 82.49 Favored 'General case' 0 C--O 1.204 -1.313 0 O-C-N 120.091 -1.63 . . . . 25.0 110.845 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.14 -32.69 74.29 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.45 -1.406 . . . . 25.0 110.372 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -72.92 -32.74 65.51 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.956 -1.09 . . . . 25.0 111.901 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 p -92.04 -27.41 17.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 p -120.9 158.44 27.66 Favored 'General case' 0 C--N 1.373 1.61 0 O-C-N 120.74 -1.225 . . . . 25.0 108.687 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -74.68 127.09 36.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 160.85 19.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 122.684 1.23 . . . . 25.0 108.96 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -134.79 148.85 50.3 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.1 tp -58.5 -38.26 77.28 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 123.814 0.696 . . . . 25.0 111.104 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -50.93 -43.68 60.16 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 123.832 0.707 . . . . 25.0 112.385 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.8 -36.44 36.99 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.375 -0.93 . . . . 25.0 110.834 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.79 -39.58 77.87 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.38 -27.2 67.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.651 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.3 -24.66 63.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.425 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 2' ' ' ILE . 92.8 m-85 -83.07 -7.87 59.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.162 -0.926 . . . . 25.0 110.244 -176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.81 11.09 14.4 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.184 1.553 . . . . 25.0 108.326 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 124.908 2.29 . . . . 25.0 112.214 -175.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.199 -1.588 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.92 146.7 27.81 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-N 118.944 0.793 . . . . 25.0 109.716 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -91.18 136.86 32.8 Favored 'General case' 0 C--O 1.258 1.528 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.537 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -164.73 161.5 20.66 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 107.351 -1.351 . . . . 25.0 107.351 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.83 107.83 18.86 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.828 0.851 . . . . 25.0 108.83 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.29 115.84 28.08 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 m -121.84 156.91 32.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.586 -1.188 . . . . 25.0 113.604 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.58 -140.68 47.85 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 114.233 -1.349 . . . . 25.0 113.857 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -63.86 -26.18 68.49 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 124.579 0.811 . . . . 25.0 112.816 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.55 -29.44 70.7 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.945 -0.472 . . . . 25.0 111.155 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.57 -56.21 10.37 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 123.542 0.527 . . . . 25.0 110.193 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.96 -29.48 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 119.905 -0.718 . . . . 25.0 111.531 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.25 -45.06 74.22 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 120.272 -0.571 . . . . 25.0 111.713 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.8 95.53 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-O 121.838 0.828 . . . . 25.0 109.493 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -39.66 85.1 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 122.351 1.072 . . . . 25.0 109.71 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.85 -39.27 90.6 Favored 'General case' 0 C--O 1.197 -1.696 0 O-C-N 120.426 -1.421 . . . . 25.0 113.007 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.05 -39.92 96.16 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 118.255 -0.879 . . . . 25.0 111.208 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.96 -30.53 23.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 119.492 1.042 . . . . 25.0 111.517 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -65.38 -47.34 76.71 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 -17.5 3.71 Favored Glycine 0 C--N 1.306 -1.137 0 O-C-N 122.308 -0.245 . . . . 25.0 113.508 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -140.22 177.5 7.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 60.32 52.19 4.99 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.58 132.55 44.38 Favored Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.203 -0.998 . . . . 25.0 112.795 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.37 -28.56 64.13 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 115.392 -0.404 . . . . 25.0 111.476 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -154.89 151.57 28.73 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 123.533 0.521 . . . . 25.0 111.416 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -145.09 148.27 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.219 0.95 . . . . 25.0 111.586 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 78.6 m -112.38 95.61 32.1 Favored Pre-proline 0 N--CA 1.477 0.878 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.926 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.13 94.53 0.74 Allowed 'Trans proline' 0 CA--C 1.562 1.879 0 N-CA-C 113.915 0.698 . . . . 25.0 113.915 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -148.76 44.55 1.01 Allowed 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 123.043 1.401 . . . . 25.0 111.222 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.193 -1.874 0 C-N-CA 126.762 2.025 . . . . 25.0 112.139 177.428 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.391 0 N-CA-C 119.402 2.521 . . . . 25.0 119.402 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -52.94 -40.99 38.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 121.032 -1.275 . . . . 25.0 114.243 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.9 -56.36 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.715 -0.794 . . . . 25.0 111.631 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -67.07 -26.84 66.94 Favored 'General case' 0 C--O 1.173 -2.925 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.805 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.84 -41.44 68.16 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 121.391 -0.818 . . . . 25.0 112.534 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 t -77.46 -46.0 23.91 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.7 m -77.0 6.9 5.51 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 117.616 2.45 . . . . 25.0 117.616 -172.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -103.09 -12.97 17.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.36 -0.536 . . . . 25.0 111.076 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -154.06 -165.27 2.06 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mm -67.61 128.46 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 103.349 -2.834 . . . . 25.0 103.349 168.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -92.52 105.41 17.59 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.53 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.4 p -74.64 153.94 38.72 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 119.206 -0.997 . . . . 25.0 110.543 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.29 -27.09 63.17 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.5 -41.39 98.79 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 120.006 -0.678 . . . . 25.0 110.892 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -70.89 -41.71 70.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.01 -37.13 81.44 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.275 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -69.04 -19.02 64.09 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 117.252 -1.356 . . . . 25.0 109.882 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -70.39 -23.33 62.74 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 120.532 1.514 . . . . 25.0 112.968 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -77.09 -10.92 59.7 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.755 -0.378 . . . . 25.0 110.334 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -105.17 22.36 15.49 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 . . . . . 0 N--CA 1.491 1.578 0 C-N-CA 128.381 2.672 . . . . 25.0 111.693 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 CA--C 1.502 -0.904 0 CA-C-O 122.282 1.039 . . . . 25.0 113.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.408 HG12 ' H ' ' B' ' 32' ' ' VAL . 2.6 p -73.59 137.36 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 CA-C-N 114.076 -1.42 . . . . 25.0 111.901 -172.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.56 128.7 36.67 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -140.34 178.06 7.56 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 119.016 -0.516 . . . . 25.0 111.17 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.91 129.11 34.36 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 104.561 -2.385 . . . . 25.0 104.561 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.87 129.79 40.83 Favored 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 104.657 -2.349 . . . . 25.0 104.657 -175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 t -157.05 171.03 21.19 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 103.907 -2.627 . . . . 25.0 103.907 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.11 -137.72 43.98 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 124.53 1.144 . . . . 25.0 113.019 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.4 p -61.41 -34.83 76.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.36 -1.671 . . . . 25.0 113.268 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.0 -35.36 78.31 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 118.752 0.705 . . . . 25.0 109.634 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.8 -51.34 69.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.864 0.84 . . . . 25.0 108.757 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.96 -38.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.051 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -58.23 -48.61 79.84 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.496 0.718 . . . . 25.0 111.722 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.42 82.89 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.328 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.97 -35.81 73.81 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 122.616 1.198 . . . . 25.0 109.321 178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -69.31 -42.43 75.42 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.97 -32.88 72.78 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.517 -1.23 . . . . 25.0 111.733 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.81 -32.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.757 0 CA-C-N 119.32 0.964 . . . . 25.0 113.214 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -148.43 7.0 0.76 Allowed 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 115.653 1.723 . . . . 25.0 115.653 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.06 30.58 1.34 Allowed Glycine 0 C--O 1.251 1.188 0 CA-C-O 118.312 -1.271 . . . . 25.0 115.715 -174.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.28 -33.23 70.82 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 118.6 1.2 . . . . 25.0 114.004 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -76.48 -18.48 58.74 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 116.64 0.38 Allowed Glycine 0 CA--C 1.541 1.685 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -78.62 -26.51 45.3 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.243 1.021 . . . . 25.0 108.552 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -155.48 105.51 2.46 Favored 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 25.5 t80 60.99 164.07 0.07 Allowed 'General case' 0 C--O 1.199 -1.555 0 C-N-CA 125.37 1.468 . . . . 25.0 113.28 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -128.81 74.57 80.69 Favored Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -83.12 175.3 8.56 Favored 'Trans proline' 0 C--O 1.236 0.381 0 CA-C-O 121.826 0.678 . . . . 25.0 112.892 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.86 108.75 7.59 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.511 2.607 0 C-N-CA 127.271 2.229 . . . . 25.0 114.009 166.766 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 117.634 1.814 . . . . 25.0 117.634 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -51.0 -41.87 23.01 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 CA-C-N 114.089 -1.055 . . . . 25.0 112.923 -176.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.1 -53.03 48.73 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.34 0 O-C-N 121.258 -0.901 . . . . 25.0 112.561 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.74 -20.39 59.84 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 120.982 -1.074 . . . . 25.0 112.316 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.91 -37.66 34.18 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 122.09 0.948 . . . . 25.0 110.219 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.56 -50.44 6.27 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.277 -1.514 . . . . 25.0 111.795 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.33 50.21 1.41 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 115.207 -0.906 . . . . 25.0 112.819 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -146.44 -5.94 0.56 Allowed 'General case' 0 C--O 1.26 1.608 0 CA-C-O 122.4 1.095 . . . . 25.0 111.46 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -151.96 179.42 8.48 Favored 'General case' 0 C--O 1.189 -2.128 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -72.22 128.28 34.99 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -95.72 104.85 16.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -76.25 151.21 36.87 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.844 0.83 . . . . 25.0 110.695 -175.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' B' ' 31' ' ' PHE . 56.4 tp -56.62 -34.81 67.61 Favored 'General case' 0 C--O 1.186 -2.268 0 CA-C-N 115.155 -0.93 . . . . 25.0 111.864 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.36 -41.99 81.19 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 121.89 -0.506 . . . . 25.0 111.817 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.65 -38.99 28.13 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -36.73 80.13 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 124.199 0.999 . . . . 25.0 110.842 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.33 -21.85 66.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.629 0.581 . . . . 25.0 109.622 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -68.79 -18.95 64.27 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.08 -1.013 . . . . 25.0 111.467 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.33 3.53 52.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 122.552 1.168 . . . . 25.0 112.987 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -85.29 -2.22 57.83 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 123.187 1.47 . . . . 25.0 109.749 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--O 1.193 -1.869 0 C-N-CA 126.212 1.805 . . . . 25.0 113.26 175.278 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 59.2 t80 . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.75 136.35 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -77.4 106.57 9.24 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.853 -1.165 . . . . 25.0 107.853 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -144.06 -177.24 5.34 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.782 -1.199 . . . . 25.0 110.819 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.3 78.79 4.76 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.23 114.25 11.2 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 122.262 1.03 . . . . 25.0 108.385 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -138.94 161.91 36.18 Favored 'General case' 0 N--CA 1.421 -1.92 0 CA-C-N 115.028 -0.987 . . . . 25.0 109.398 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.93 -142.99 44.29 Favored Glycine 0 N--CA 1.416 -2.676 0 C-N-CA 120.569 -0.824 . . . . 25.0 114.68 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -68.54 -21.75 64.54 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.638 -0.425 . . . . 25.0 111.414 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -63.24 -26.62 68.87 Favored 'General case' 0 C--O 1.191 -2.015 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.18 -49.44 56.7 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.471 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.39 -30.13 33.84 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.879 0 CA-C-N 118.382 0.537 . . . . 25.0 110.6 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.67 -50.04 66.37 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.88 94.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.76 -1.213 . . . . 25.0 107.931 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.87 -44.51 86.67 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -66.85 -39.27 87.54 Favored 'General case' 0 C--O 1.204 -1.339 0 O-C-N 121.17 -0.956 . . . . 25.0 112.295 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.62 -43.0 99.91 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-O 122.033 0.921 . . . . 25.0 113.181 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.53 -28.76 14.57 Favored 'Isoleucine or valine' 0 C--O 1.25 1.088 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.988 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 74.8 m -83.59 -46.14 12.71 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 118.614 -1.234 . . . . 25.0 110.523 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.65 27.31 73.92 Favored Glycine 0 C--N 1.312 -0.763 0 C-N-CA 119.667 -1.254 . . . . 25.0 112.187 -174.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.05 4.56 3.37 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -174.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 59.66 39.89 20.63 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 119.076 0.853 . . . . 25.0 112.243 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.96 125.63 5.43 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-N 115.102 -0.953 . . . . 25.0 113.233 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.43 -25.78 57.79 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 118.86 -2.553 . . . . 25.0 110.044 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -116.51 137.94 51.78 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 102.712 -3.07 . . . . 25.0 102.712 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -95.18 110.5 22.46 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 124.24 0.962 . . . . 25.0 109.173 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -131.43 85.56 52.64 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-O 121.704 0.764 . . . . 25.0 109.897 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.61 151.67 58.65 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 117.131 -1.446 . . . . 25.0 111.877 -173.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -135.51 29.4 3.27 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 121.88 0.848 . . . . 25.0 109.187 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.264 0 CA-C-O 123.636 1.684 . . . . 25.0 111.28 -175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.01 1 CA-C-O 128.927 4.626 . . . . 25.0 111.361 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 19' ' ' TYR . 11.4 tt -51.22 -44.62 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 1 CA-C-N 108.155 -4.023 . . . . 25.0 112.805 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.94 -48.16 87.37 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 -175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -66.54 -30.5 70.82 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.172 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.68 -48.53 54.29 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 119.869 1.213 . . . . 25.0 112.237 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 m -81.42 -25.73 35.96 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 -176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 t -71.29 -10.3 59.53 Favored 'General case' 0 C--O 1.268 2.052 0 CA-C-O 119.096 -0.478 . . . . 25.0 111.034 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -116.09 152.01 34.46 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 104.374 -2.454 . . . . 25.0 104.374 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m 51.5 -153.57 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.521 -0.737 . . . . 25.0 110.745 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -130.57 107.15 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.97 122.7 23.0 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 m -75.55 160.05 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -25.61 68.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.973 -1.079 . . . . 25.0 112.577 -176.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -63.15 -41.65 99.32 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 123.323 0.649 . . . . 25.0 110.933 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -75.91 -35.49 59.77 Favored 'General case' 0 C--O 1.195 -1.781 0 CA-C-N 115.255 -0.884 . . . . 25.0 108.855 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.28 -40.64 86.74 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.07 -28.81 55.17 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.808 -1.183 . . . . 25.0 113.61 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.37 -19.68 62.25 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.562 -1.336 . . . . 25.0 109.777 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 2' ' ' ILE . 85.6 m-85 -72.06 -23.61 61.39 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 121.346 -0.846 . . . . 25.0 112.148 173.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.25 -35.7 61.37 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 123.601 1.667 . . . . 25.0 110.069 173.72 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.505 2.289 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.18 132.27 33.37 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 O-C-N 118.978 -2.326 . . . . 25.0 113.601 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -82.24 131.43 35.23 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.27 -0.972 . . . . 25.0 110.236 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -160.69 166.87 28.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -59.08 141.48 53.95 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.892 -1.13 . . . . 25.0 111.365 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.83 98.39 5.79 Favored 'General case' 0 C--O 1.186 -2.245 0 CA-C-O 123.623 1.677 . . . . 25.0 113.408 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -126.47 -146.18 0.33 Allowed 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 114.615 -1.175 . . . . 25.0 108.892 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -29.08 123.32 0.08 OUTLIER Glycine 0 N--CA 1.486 1.99 0 N-CA-C 117.431 1.732 . . . . 25.0 117.431 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m 63.8 -51.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.463 1.653 . . . . 25.0 115.463 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -60.13 -39.73 87.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.63 -54.35 44.07 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.33 -37.86 80.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.94 -46.35 78.48 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.975 -0.453 . . . . 25.0 111.676 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.02 -42.71 89.28 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 120.696 -1.252 . . . . 25.0 108.348 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.69 -45.71 77.77 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 123.321 0.648 . . . . 25.0 110.066 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.82 -44.87 94.99 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.379 -0.826 . . . . 25.0 110.693 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.49 -33.75 76.25 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.74 -26.51 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 O-C-N 120.047 -1.658 . . . . 25.0 114.168 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 67.1 m -79.11 -56.03 4.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 120.278 -0.569 . . . . 25.0 112.337 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.3 24.79 67.76 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.01 -1.091 . . . . 25.0 115.389 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.62 -63.87 1.24 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-N 117.72 0.76 . . . . 25.0 112.151 -172.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -144.78 -32.25 0.41 Allowed 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.23 136.53 8.67 Favored Glycine 0 C--O 1.205 -1.662 0 N-CA-C 109.197 -1.561 . . . . 25.0 109.197 -170.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -82.04 -24.51 35.27 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.919 -0.754 . . . . 25.0 109.702 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -121.1 71.55 0.95 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 105.289 -2.115 . . . . 25.0 105.289 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -140.91 130.43 23.95 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 126.164 2.165 . . . . 25.0 109.649 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.9 p -135.26 146.73 59.28 Favored Pre-proline 0 C--O 1.238 0.485 0 N-CA-C 106.086 -1.82 . . . . 25.0 106.086 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.81 172.78 15.6 Favored 'Trans proline' 0 N--CA 1.439 -1.7 0 C-N-CA 117.651 -1.099 . . . . 25.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -122.84 133.01 54.45 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.381 -0.824 . . . . 25.0 111.229 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.572 1.8 0 CA-C-O 123.795 1.759 . . . . 25.0 110.343 175.726 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 117.101 1.6 . . . . 25.0 117.101 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.71 -35.8 57.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 124.157 0.983 . . . . 25.0 113.444 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -67.69 -52.67 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 119.527 -0.869 . . . . 25.0 111.43 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -67.81 -27.16 66.49 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.201 -0.937 . . . . 25.0 110.806 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -72.27 -47.83 47.11 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 123.635 0.584 . . . . 25.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.7 m -81.89 -18.53 43.4 Favored 'General case' 0 C--O 1.26 1.629 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -88.41 40.19 0.95 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.899 0.857 . . . . 25.0 111.77 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -133.29 -91.13 0.37 Allowed 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.101 -1.409 . . . . 25.0 107.737 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t -81.36 148.77 29.19 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 165.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.05 121.72 16.71 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 CA-C-N 119.128 0.876 . . . . 25.0 109.283 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.54 116.64 6.36 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -64.11 149.7 47.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -22.53 66.51 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 120.224 -1.548 . . . . 25.0 111.919 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -67.66 -35.42 78.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.927 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -79.47 -37.51 36.68 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.299 0.571 . . . . 25.0 111.751 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.21 -34.83 72.63 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.318 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.13 -33.55 67.49 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.818 0.847 . . . . 25.0 110.898 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.73 -22.79 63.35 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.746 -0.782 . . . . 25.0 111.48 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -73.7 -12.36 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.764 -1.21 . . . . 25.0 110.68 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.98 52.13 1.86 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 N--CA 1.484 1.232 0 CA-C-N 112.899 -1.955 . . . . 25.0 113.206 -171.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 123.672 1.701 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.09 128.1 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.871 -1.143 . . . . 25.0 111.134 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -84.2 121.63 27.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.3 171.23 14.4 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.17 0.588 . . . . 25.0 110.436 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.86 94.53 3.91 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.16 141.68 38.05 Favored 'General case' 0 CA--C 1.49 -1.355 0 C-N-CA 119.119 -1.032 . . . . 25.0 109.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.27 -144.37 0.27 Allowed 'General case' 0 C--O 1.243 0.727 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.207 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.88 141.26 5.19 Favored Glycine 0 C--O 1.213 -1.194 0 CA-C-N 115.54 -0.755 . . . . 25.0 113.823 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t 63.94 -61.34 0.17 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.458 2.022 . . . . 25.0 116.458 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -32.49 73.59 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 119.75 -1.843 . . . . 25.0 112.07 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -67.16 -38.21 85.06 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 121.019 1.736 . . . . 25.0 108.286 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.69 -35.29 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.61 -42.95 77.41 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.8 95.76 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.268 0.94 . . . . 25.0 109.533 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 tp -58.09 -43.91 87.33 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 121.792 -0.568 . . . . 25.0 110.895 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.492 -1.25 0 O-C-N 120.867 -1.145 . . . . 25.0 111.069 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.22 -31.62 70.32 Favored 'General case' 0 C--O 1.17 -3.106 0 C-N-CA 120.313 -0.555 . . . . 25.0 111.684 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 p -85.66 -31.35 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 119.572 -1.955 . . . . 25.0 112.975 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 86.4 m -70.73 -38.55 73.58 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.267 0.556 . . . . 25.0 112.325 172.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.29 82.86 Favored Glycine 0 C--O 1.216 -1.026 0 CA-C-O 122.6 1.111 . . . . 25.0 112.457 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.49 163.48 25.25 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 121.682 -0.893 . . . . 25.0 109.291 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.92 -15.65 44.7 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 114.981 1.474 . . . . 25.0 114.981 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.22 173.21 12.95 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.19 -4.38 14.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.022 -1.281 . . . . 25.0 111.929 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -109.29 110.77 22.04 Favored 'General case' 0 CA--C 1.482 -1.648 0 N-CA-C 105.799 -1.926 . . . . 25.0 105.799 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -132.01 112.59 12.51 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 125.413 1.696 . . . . 25.0 111.232 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -133.34 95.6 18.08 Favored Pre-proline 0 C--N 1.343 0.293 0 CA-C-N 114.548 -1.206 . . . . 25.0 108.177 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -71.26 103.04 1.34 Allowed 'Trans proline' 0 C--N 1.328 -0.51 0 N-CA-C 114.157 0.791 . . . . 25.0 114.157 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -143.64 116.66 8.87 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.781 -0.645 . . . . 25.0 112.385 170.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.205 -1.254 0 CA-C-O 126.842 3.21 . . . . 25.0 112.238 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.309 0 N-CA-C 120.453 2.941 . . . . 25.0 120.453 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tt -51.28 -32.66 13.03 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 119.584 -2.127 . . . . 25.0 116.183 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.79 -57.94 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.864 -1.148 . . . . 25.0 111.317 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.32 -26.11 68.34 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.685 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.44 -50.22 19.27 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.54 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.96 -21.94 59.83 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.4 m -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 123.647 0.592 . . . . 25.0 110.921 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -125.06 -11.9 7.01 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 122.263 1.03 . . . . 25.0 113.509 -172.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -140.32 168.9 18.71 Favored 'General case' 0 C--O 1.25 1.108 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.1 mt -90.3 103.42 14.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 106.474 -1.676 . . . . 25.0 106.474 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 p -76.63 111.03 11.7 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 m -62.82 147.07 51.11 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.33 -39.03 44.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.151 0.581 . . . . 25.0 111.505 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -55.16 -40.09 70.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.407 0.622 . . . . 25.0 111.219 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -38.61 18.29 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.336 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.21 -46.71 72.54 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.96 -23.92 67.52 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.225 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.04 -7.7 54.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.385 -0.822 . . . . 25.0 108.908 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -83.93 -10.6 57.83 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -116.26 -162.58 0.85 Allowed 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.382 -1.711 . . . . 25.0 106.382 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.742 1.258 . . . . 25.0 111.344 171.559 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 124.712 2.196 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.53 114.1 42.52 Favored 'Isoleucine or valine' 0 C--N 1.386 2.167 0 O-C-N 120.426 -1.421 . . . . 25.0 110.783 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.08 126.52 33.16 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -163.84 168.81 19.08 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.63 145.43 55.59 Favored 'General case' 0 C--O 1.261 1.691 0 N-CA-C 105.58 -2.008 . . . . 25.0 105.58 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.31 121.84 20.66 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -158.74 165.96 33.1 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.62 79.9 0.07 OUTLIER Glycine 0 C--O 1.258 1.604 0 N-CA-C 116.676 1.43 . . . . 25.0 116.676 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m 60.21 -32.64 0.06 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 117.102 2.26 . . . . 25.0 117.102 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -61.34 -32.73 72.62 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 120.257 1.389 . . . . 25.0 112.12 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.47 -44.28 94.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 119.039 0.836 . . . . 25.0 111.872 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.35 -40.94 83.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -67.3 -41.6 85.12 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.407 -0.815 . . . . 25.0 108.881 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.77 94.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.03 -36.42 83.2 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 123.734 0.814 . . . . 25.0 110.136 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -69.18 -43.8 73.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.623 -1.298 . . . . 25.0 109.33 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.61 -39.51 80.83 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.868 -1.06 . . . . 25.0 112.693 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.7 -26.0 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 95.1 m -92.23 -26.2 18.28 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.88 29.43 63.05 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 124.342 2.079 . . . . 25.0 112.906 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 165.53 25.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.398 -1.401 . . . . 25.0 110.291 -173.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.99 -36.52 64.54 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.827 -2.657 . . . . 25.0 103.827 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.03 150.66 5.69 Favored Glycine 0 N--CA 1.435 -1.43 0 N-CA-C 108.258 -1.937 . . . . 25.0 108.258 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -93.5 -45.93 7.54 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 122.139 0.971 . . . . 25.0 111.976 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -147.04 108.09 4.21 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.03 -1.668 . . . . 25.0 112.599 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 52.1 t80 59.27 139.53 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 116.512 2.041 . . . . 25.0 116.512 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.07 93.48 38.76 Favored Pre-proline 0 CA--C 1.502 -0.875 0 CA-C-O 121.665 0.745 . . . . 25.0 112.182 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.59 153.02 65.38 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 CA-C-O 122.947 1.144 . . . . 25.0 110.986 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -75.72 -38.9 58.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 113.416 -1.72 . . . . 25.0 110.586 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 123.961 1.838 . . . . 25.0 110.888 -179.563 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.264 0 CA-C-O 123.814 1.785 . . . . 25.0 113.556 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tt -52.56 -46.0 48.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 CA-C-N 112.268 -1.966 . . . . 25.0 111.67 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -63.46 -45.17 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.51 -1.369 . . . . 25.0 112.026 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.01 -53.44 55.48 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.735 1.255 . . . . 25.0 113.663 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -72.7 -23.0 60.81 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 119.998 -1.689 . . . . 25.0 111.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -65.42 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -128.66 7.13 5.68 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.146 1.378 . . . . 25.0 112.673 -175.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -137.36 -173.1 3.38 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.454 -0.778 . . . . 25.0 112.189 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mm -83.37 -48.05 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 O-C-N 121.479 -0.763 . . . . 25.0 109.006 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m 50.2 69.68 0.59 Allowed 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 124.667 1.229 . . . . 25.0 110.133 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.7 m -69.15 168.23 14.48 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.223 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 HG21 ' B' ' 48' ' ' VAL . 18.5 tp -43.13 -44.42 5.01 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 114.551 1.315 . . . . 25.0 114.551 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -58.55 -38.78 78.53 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -81.21 -37.12 29.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.06 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.11 -39.42 78.62 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 122.967 1.365 . . . . 25.0 113.618 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.25 -21.08 66.28 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.038 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.4 -22.4 61.12 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -81.93 -9.82 59.47 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 120.048 -1.657 . . . . 25.0 111.474 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -93.99 50.9 1.46 Allowed 'General case' 0 C--O 1.253 1.243 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--O 1.2 -1.534 0 CA-C-O 125.169 2.414 . . . . 25.0 110.052 -178.789 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.847 1.308 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.92 114.37 27.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -82.12 106.63 14.18 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -140.92 150.97 43.85 Favored 'General case' 0 CA--C 1.482 -1.659 0 CA-C-N 120.741 1.609 . . . . 25.0 107.426 -173.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.99 141.59 56.21 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 122.439 1.114 . . . . 25.0 108.577 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.96 127.87 29.43 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.951 0.881 . . . . 25.0 109.887 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 47.1 t -140.81 -43.61 0.39 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.297 -1.502 . . . . 25.0 111.734 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 -157.31 14.05 Favored Glycine 0 N--CA 1.431 -1.641 0 O-C-N 124.097 0.873 . . . . 25.0 111.365 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -60.54 -12.14 9.04 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 119.053 1.427 . . . . 25.0 110.357 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -56.94 -32.11 65.66 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.492 -0.755 . . . . 25.0 112.512 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.44 -57.28 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.35 1.031 . . . . 25.0 112.976 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -65.1 -27.66 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.864 0 O-C-N 121.177 -0.952 . . . . 25.0 111.817 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -71.22 -37.36 72.04 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.492 0.495 . . . . 25.0 110.461 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.98 76.96 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -33.22 74.62 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-O 122.069 0.938 . . . . 25.0 112.483 175.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -68.7 -42.47 77.72 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.165 -1.584 . . . . 25.0 108.856 172.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.72 -30.4 71.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 13' ' ' LEU . 7.9 p -93.93 -39.18 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.84 23.5 4.26 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -170.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.48 68.43 3.55 Favored Glycine 0 C--O 1.217 -0.962 0 O-C-N 120.833 -1.167 . . . . 25.0 113.525 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.53 52.56 0.8 Allowed 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 58.22 34.55 24.23 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 124.362 1.065 . . . . 25.0 110.456 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.47 -29.28 7.53 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 116.412 1.325 . . . . 25.0 116.412 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -75.43 -29.4 59.71 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.154 -1.792 . . . . 25.0 110.88 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -152.23 152.56 32.37 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 121.359 -0.838 . . . . 25.0 112.325 -170.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -118.93 109.25 15.76 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.71 84.8 60.15 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 113.476 -1.693 . . . . 25.0 111.187 -176.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -80.25 67.45 8.62 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.141 1.894 . . . . 25.0 111.389 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -142.42 156.56 45.21 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.194 -1.851 0 CA-C-O 124.663 2.173 . . . . 25.0 114.632 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.717 0 CA-C-O 122.924 1.291 . . . . 25.0 114.619 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -49.21 -47.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.356 -1.085 . . . . 25.0 112.49 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.62 -59.1 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.592 -0.692 . . . . 25.0 112.264 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -62.72 -26.34 68.63 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -71.56 -51.97 20.63 Favored 'General case' 0 C--O 1.191 -2.002 0 C-N-CA 119.663 -0.815 . . . . 25.0 109.509 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -76.01 -16.04 60.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 119.089 -2.257 . . . . 25.0 114.311 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.36 -23.95 60.27 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 121.424 -0.798 . . . . 25.0 111.539 172.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.26 -9.96 9.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.638 0.732 . . . . 25.0 112.067 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -134.59 164.4 27.59 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -95.23 116.49 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 106.025 -1.842 . . . . 25.0 106.025 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.5 m -92.14 109.02 20.37 Favored 'General case' 0 C--O 1.183 -2.428 0 CA-C-N 114.078 -1.419 . . . . 25.0 109.822 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -62.46 155.77 24.61 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -62.78 -29.65 70.86 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.705 -0.622 . . . . 25.0 110.889 173.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -59.02 -34.65 72.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.08 -0.509 . . . . 25.0 109.947 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -84.96 -40.08 17.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 -41.21 92.18 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 123.151 0.58 . . . . 25.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.31 -25.44 68.31 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.715 1.143 . . . . 25.0 113.546 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.09 -23.98 65.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.609 -0.682 . . . . 25.0 112.082 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.8 -19.52 61.32 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.665 -0.814 . . . . 25.0 110.575 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.98 12.55 23.55 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.195 0.998 . . . . 25.0 110.648 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--O 1.192 -1.956 0 CA-C-O 128.315 3.912 . . . . 25.0 108.266 178.597 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 N--CA 1.51 2.558 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.65 127.27 13.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 O-C-N 120.103 -1.623 . . . . 25.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -87.81 105.13 17.19 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.719 1.723 . . . . 25.0 110.169 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -142.53 163.52 32.6 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 107.745 -1.205 . . . . 25.0 107.745 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -67.14 145.65 55.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -125.62 104.71 8.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.92 0.488 . . . . 25.0 110.99 -173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.02 139.75 23.86 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.787 0.835 . . . . 25.0 110.811 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 87.47 0.26 Allowed Glycine 0 C--O 1.202 -1.851 0 N-CA-C 115.452 0.941 . . . . 25.0 115.452 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 61.55 -43.68 0.14 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.046 2.239 . . . . 25.0 117.046 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -39.55 69.93 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.628 1.344 . . . . 25.0 114.628 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.15 -53.9 52.86 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.45 -30.18 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 121.131 -0.981 . . . . 25.0 109.533 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.53 -48.97 75.34 Favored 'General case' 0 N--CA 1.51 2.529 0 N-CA-C 108.725 -0.843 . . . . 25.0 108.725 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.93 99.11 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.888 0.475 . . . . 25.0 110.824 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.539 0.524 . . . . 25.0 109.718 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -60.35 -44.28 95.69 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 120.932 -1.105 . . . . 25.0 112.043 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.62 -34.72 78.88 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -79.66 -29.9 13.32 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 119.382 -0.927 . . . . 25.0 109.103 -175.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.32 -51.07 40.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.422 0.451 . . . . 25.0 111.625 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.43 24.5 65.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 119.465 -1.35 . . . . 25.0 112.058 -170.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -127.38 143.98 51.13 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 118.276 1.038 . . . . 25.0 108.958 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -98.69 16.74 21.12 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.75 26.65 10.28 Favored Glycine 0 CA--C 1.541 1.688 0 O-C-N 121.232 -0.917 . . . . 25.0 113.445 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -78.02 -44.7 25.76 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 117.859 0.83 . . . . 25.0 110.444 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -132.98 152.18 51.98 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-O 119.23 -0.414 . . . . 25.0 111.594 176.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -143.37 125.46 15.37 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 123.698 0.624 . . . . 25.0 111.382 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.81 89.77 4.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 105.992 -1.855 . . . . 25.0 105.992 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.34 128.95 16.19 Favored 'Trans proline' 0 C--O 1.252 1.21 0 C-N-CA 118.068 -0.821 . . . . 25.0 111.636 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -145.26 111.17 5.5 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 106.096 -1.816 . . . . 25.0 106.096 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.597 0 CA-C-O 126.204 3.113 . . . . 25.0 115.73 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.85 -35.19 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.005 0 O-C-N 120.242 -1.74 . . . . 25.0 111.99 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.92 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.594 0 CA-C-N 114.498 -1.228 . . . . 25.0 110.114 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.29 -32.16 64.47 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.81 -38.61 64.53 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.143 -0.481 . . . . 25.0 109.706 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -40.1 9.5 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.647 0.981 . . . . 25.0 113.647 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.06 76.78 10.21 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.126 -1.609 . . . . 25.0 109.781 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.29 -40.87 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 114.722 -1.126 . . . . 25.0 112.11 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -146.9 36.83 0.95 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.28 1.038 . . . . 25.0 112.264 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt 56.59 76.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 114.341 -1.3 . . . . 25.0 110.148 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.18 148.1 45.64 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 119.558 -0.857 . . . . 25.0 112.655 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -84.96 166.2 16.97 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 118.799 -0.619 . . . . 25.0 111.356 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.94 -28.93 68.69 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.76 -38.53 78.67 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.89 -43.37 36.05 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 123.9 0.75 . . . . 25.0 110.863 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 tp -53.41 -43.1 67.68 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.86 -19.4 65.03 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 115.295 1.591 . . . . 25.0 115.295 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.06 -23.23 67.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.473 172.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.93 -7.81 57.84 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.208 0.527 . . . . 25.0 110.724 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.41 40.24 1.73 Allowed 'General case' 0 C--O 1.195 -1.809 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.378 1.816 0 C-N-CA 126.769 2.028 . . . . 25.0 114.267 179.089 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 C--O 1.196 -1.733 0 CA-C-O 121.808 0.813 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 30.9 m -91.08 161.12 2.63 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.19 146.19 42.51 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -165.81 177.99 6.84 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.58 78.41 4.09 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.16 -1.587 . . . . 25.0 110.26 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.94 119.99 14.99 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.557 -0.714 . . . . 25.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.34 168.16 21.15 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.01 -133.47 12.33 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 124.121 1.956 . . . . 25.0 114.157 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -33.3 75.48 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.863 -1.375 . . . . 25.0 114.063 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -62.62 -33.95 76.04 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -46.59 82.64 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 119.664 1.12 . . . . 25.0 109.383 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.94 -37.93 81.48 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -67.21 -50.81 59.43 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 124.945 1.403 . . . . 25.0 109.309 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.205 -1.28 0 O-C-N 121.379 -0.825 . . . . 25.0 111.146 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.07 -37.31 83.79 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.756 1.265 . . . . 25.0 111.913 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.91 -48.04 80.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.61 -42.3 99.5 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.13 -35.06 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 118.472 -0.775 . . . . 25.0 111.282 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 90.2 m -77.45 -48.58 16.78 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.598 0.561 . . . . 25.0 110.757 175.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.34 -45.9 2.41 Favored Glycine 0 C--N 1.299 -1.481 0 C-N-CA 120.94 -0.648 . . . . 25.0 111.893 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.84 69.31 0.68 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.326 1.563 . . . . 25.0 112.583 -176.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.59 45.95 23.83 Favored 'General case' 0 C--O 1.193 -1.9 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.57 -29.15 53.29 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 116.746 1.459 . . . . 25.0 116.746 -170.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -141.53 -138.74 0.12 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.588 -1.264 . . . . 25.0 107.588 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.18 129.41 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.138 0.494 . . . . 25.0 110.412 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -142.89 131.27 22.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.011 -0.431 . . . . 25.0 111.099 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.8 p -135.87 151.6 74.3 Favored Pre-proline 0 C--O 1.261 1.66 0 CA-C-N 114.467 -1.242 . . . . 25.0 109.994 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -75.27 153.31 40.44 Favored 'Trans proline' 0 CA--C 1.548 1.203 0 C-N-CA 115.589 -2.474 . . . . 25.0 112.952 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -128.15 -40.02 1.69 Allowed 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 123.15 1.453 . . . . 25.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.199 -1.601 0 CA-C-O 123.294 1.521 . . . . 25.0 108.616 -179.12 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.647 0 CA-C-O 124.043 1.913 . . . . 25.0 113.808 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' TYR . 9.3 tt -51.98 -41.11 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 112.09 -2.055 . . . . 25.0 111.174 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.84 -62.06 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 CA-C-O 118.507 -0.759 . . . . 25.0 109.522 -175.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.64 -25.1 66.05 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 119.462 -0.895 . . . . 25.0 110.617 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -70.47 -55.37 9.13 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.519 -0.753 . . . . 25.0 109.422 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -71.82 -16.98 62.18 Favored 'General case' 0 CA--C 1.562 1.426 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -177.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -73.92 -24.99 59.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 119.335 -0.364 . . . . 25.0 110.388 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -115.07 -30.56 6.32 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 m -107.42 165.67 11.23 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.221 -1.549 . . . . 25.0 110.339 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -89.05 104.8 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 105.041 -2.207 . . . . 25.0 105.041 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.2 m -74.19 115.66 13.95 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -67.46 154.34 41.61 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' B' ' 31' ' ' PHE . 69.8 mt -68.74 -28.45 66.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.99 -44.88 94.23 Favored 'General case' 0 C--O 1.194 -1.863 0 O-C-N 125.002 1.439 . . . . 25.0 108.872 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -74.42 -34.51 63.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 121.485 -0.759 . . . . 25.0 109.386 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.77 -38.46 81.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 118.361 0.528 . . . . 25.0 110.328 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -59.43 -24.13 63.25 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 114.353 1.242 . . . . 25.0 114.353 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.05 -20.82 60.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 124.29 1.995 . . . . 25.0 111.828 -175.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 2' ' ' ILE . 39.9 m-85 -80.19 -4.3 52.51 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.368 -1.287 . . . . 25.0 110.487 172.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -114.58 36.91 3.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.947 1.356 . . . . 25.0 111.128 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.209 -1.027 0 C-N-CA 124.852 1.261 . . . . 25.0 112.929 -171.314 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 42.7 t80 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.9 142.54 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 119.266 -2.146 . . . . 25.0 112.07 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.5 103.99 16.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.007 -1.077 . . . . 25.0 110.232 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.4 171.7 15.07 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.794 -0.567 . . . . 25.0 110.443 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.9 148.96 48.34 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.62 115.76 22.0 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 123.242 0.617 . . . . 25.0 109.52 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -131.06 -54.94 1.05 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.16 1.911 . . . . 25.0 116.16 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.91 -142.71 4.64 Favored Glycine 0 C--N 1.346 1.097 0 C-N-CA 119.196 -1.478 . . . . 25.0 112.128 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -52.71 -24.35 8.46 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 118.077 0.939 . . . . 25.0 113.428 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -57.87 -24.05 55.81 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.22 -58.26 3.98 Favored 'General case' 0 C--O 1.187 -2.199 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.52 -29.65 47.21 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.8 0 CA-C-O 121.053 0.454 . . . . 25.0 109.943 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.75 -46.86 77.25 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 122.395 1.093 . . . . 25.0 110.853 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.03 87.78 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.47 -0.769 . . . . 25.0 109.171 173.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -35.75 74.98 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 121.9 0.857 . . . . 25.0 112.364 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.41 ' HE1' ' HG1' ' B' ' 57' ' ' THR . 13.5 t80 -69.68 -41.0 76.05 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.243 -0.89 . . . . 25.0 108.747 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.2 -39.49 89.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.177 -1.392 . . . . 25.0 110.76 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.07 -34.48 10.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.735 0 CA-C-N 119.719 1.145 . . . . 25.0 113.477 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -120.33 -17.07 8.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.927 1.454 . . . . 25.0 114.927 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.22 56.92 4.04 Favored Glycine 0 C--O 1.202 -1.851 0 C-N-CA 119.162 -1.494 . . . . 25.0 115.608 -169.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.48 -44.98 85.35 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.91 0.355 . . . . 25.0 110.289 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -87.58 -4.5 58.96 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 123.038 1.399 . . . . 25.0 110.393 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.96 148.79 18.8 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 114.859 -1.064 . . . . 25.0 110.983 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.16 -36.16 35.5 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.254 0.55 . . . . 25.0 111.986 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -151.97 44.4 0.74 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 t80 65.67 110.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.41 ' HG1' ' HE1' ' B' ' 46' ' ' TYR . 19.5 p -136.28 72.8 58.5 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 -171.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.12 150.58 72.26 Favored 'Trans proline' 0 N--CA 1.429 -2.319 0 CA-C-O 122.74 1.058 . . . . 25.0 110.295 176.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -152.29 121.32 6.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 122.513 1.149 . . . . 25.0 108.874 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 127.49 3.519 . . . . 25.0 110.421 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.284 0 N-CA-C 116.693 1.437 . . . . 25.0 116.693 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -60.65 -31.76 49.97 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.407 -0.896 . . . . 25.0 111.663 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.27 -48.69 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 119.465 -0.894 . . . . 25.0 110.612 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.95 -37.04 85.96 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -69.39 -33.75 73.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -21.32 13.89 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.347 1.24 . . . . 25.0 114.347 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.08 -22.98 63.97 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.018 -1.051 . . . . 25.0 109.816 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.7 p -105.21 149.21 26.14 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m 59.11 176.73 0.07 Allowed 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mm -91.6 129.17 42.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.66 146.02 38.42 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 119.311 -0.376 . . . . 25.0 111.069 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -122.28 134.33 54.67 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.83 -32.66 73.91 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.096 -0.641 . . . . 25.0 110.211 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -52.82 -54.07 39.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 123.993 0.808 . . . . 25.0 109.519 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.17 -39.87 93.53 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.61 -0.681 . . . . 25.0 111.096 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.13 -40.72 98.4 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.23 -23.38 65.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.44 -16.43 62.38 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 118.106 -0.95 . . . . 25.0 110.745 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.31 -14.06 60.47 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.8 t -107.51 -59.55 1.81 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 123.899 1.809 . . . . 25.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 124.36 2.029 . . . . 25.0 109.521 -176.554 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.196 -1.745 0 CA-C-O 121.688 0.756 . . . . 25.0 112.566 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.77 140.18 46.55 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 C-N-CA 124.183 0.993 . . . . 25.0 108.854 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.07 97.4 10.71 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.37 175.27 12.41 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 122.969 1.366 . . . . 25.0 107.699 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -75.84 146.76 39.63 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 105.796 -1.927 . . . . 25.0 105.796 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.95 125.51 44.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.56 167.0 31.8 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 -176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.83 -150.12 48.64 Favored Glycine 0 C--O 1.21 -1.357 0 N-CA-C 108.93 -1.668 . . . . 25.0 108.93 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 -35.56 80.78 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.422 0.719 . . . . 25.0 112.518 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.41 -35.61 74.3 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 117.777 -1.106 . . . . 25.0 113.232 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.35 -53.01 62.38 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.729 0.643 . . . . 25.0 111.968 172.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.72 -22.66 16.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.952 0 O-C-N 121.174 -0.953 . . . . 25.0 110.06 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -75.92 -40.27 54.58 Favored 'General case' 0 C--O 1.185 -2.302 0 CA-C-N 115.114 -0.948 . . . . 25.0 111.103 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.7 95.89 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.749 -0.595 . . . . 25.0 111.879 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.13 -40.85 98.79 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 124.114 0.883 . . . . 25.0 111.447 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.16 -40.57 94.52 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.952 -1.023 . . . . 25.0 110.817 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.41 -43.77 98.3 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.673 0.669 . . . . 25.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.34 -22.58 14.37 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 117.403 -1.719 . . . . 25.0 114.74 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 24.5 t -95.57 -45.0 7.24 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.47 -3.44 82.1 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 120.464 -1.398 . . . . 25.0 114.284 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 132.34 42.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 121.291 -1.123 . . . . 25.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -83.24 -13.19 55.83 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 121.658 0.742 . . . . 25.0 110.838 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.0 42.21 3.09 Favored Glycine 0 C--O 1.207 -1.543 0 N-CA-C 115.313 0.885 . . . . 25.0 115.313 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.88 -56.73 4.26 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.066 -1.255 . . . . 25.0 111.203 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -145.54 34.06 1.05 Allowed 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 62.2 t80 66.02 120.98 0.02 OUTLIER 'General case' 0 C--O 1.182 -2.473 0 C-N-CA 126.048 1.739 . . . . 25.0 114.637 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -140.29 134.84 15.68 Favored Pre-proline 0 C--O 1.245 0.861 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.04 152.53 82.03 Favored 'Trans proline' 0 C--O 1.204 -1.185 0 C-N-CA 116.528 -1.848 . . . . 25.0 110.771 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -53.43 -44.5 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.252 -0.886 . . . . 25.0 112.706 -176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.52 3.069 0 CA-C-O 126.057 2.837 . . . . 25.0 110.326 -178.319 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 123.863 1.813 . . . . 25.0 115.997 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.413 HD12 ' CG ' ' A' ' 19' ' ' TYR . 12.0 tt -47.6 -47.6 10.88 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.621 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.21 -47.13 82.48 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 C-N-CA 119.598 -0.841 . . . . 25.0 111.312 -173.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -69.45 -35.28 75.51 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 118.133 -0.937 . . . . 25.0 108.842 -175.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.48 -46.2 67.21 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 120.202 1.364 . . . . 25.0 110.118 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -77.59 -13.73 59.83 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 119.859 1.209 . . . . 25.0 113.625 -175.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -84.56 -13.92 50.37 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.82 -6.46 7.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.735 -176.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -142.6 169.19 18.03 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.44 0.638 . . . . 25.0 109.676 175.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.46 93.06 4.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 123.18 1.467 . . . . 25.0 109.664 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.06 129.23 37.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.313 -1.365 . . . . 25.0 107.313 177.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -93.13 168.34 11.18 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 31' ' ' PHE . 8.2 tt -62.68 -32.89 74.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 118.691 0.678 . . . . 25.0 109.176 175.065 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -55.82 -39.41 71.34 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.117 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -90.41 -35.99 14.85 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 120.803 -1.186 . . . . 25.0 111.204 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.13 -29.87 70.63 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 115.975 -0.557 . . . . 25.0 112.231 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.08 -25.31 58.52 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 114.186 1.18 . . . . 25.0 114.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.24 -22.81 65.67 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.748 -1.22 . . . . 25.0 110.09 -178.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CG ' HD12 ' A' ' 2' ' ' ILE . 51.9 m-85 -82.69 -2.27 53.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.515 0.509 . . . . 25.0 109.783 176.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.63 43.84 1.97 Allowed 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 125.594 2.616 . . . . 25.0 113.741 -178.509 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.405 ' CD1' HD12 ' A' ' 13' ' ' LEU . 73.3 t80 . . . . . 0 C--O 1.186 -2.261 0 CA-C-O 124.726 2.203 . . . . 25.0 112.001 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.27 114.02 44.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 119.335 -2.103 . . . . 25.0 109.784 176.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.73 137.37 39.3 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -159.36 169.02 24.91 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.039 -171.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -72.15 144.75 48.48 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 -178.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.27 94.76 2.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.663 -175.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 t -130.89 161.12 32.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 173.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.7 -144.34 46.81 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 124.024 0.827 . . . . 25.0 113.09 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -65.35 -26.47 68.04 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.312 -1.444 . . . . 25.0 111.529 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -38.27 72.35 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.617 -0.833 . . . . 25.0 111.171 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.71 -42.21 97.98 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 118.788 -0.625 . . . . 25.0 111.293 -179.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -71.83 -36.47 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 122.81 1.29 . . . . 25.0 109.779 -177.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.04 -52.32 63.3 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.45 86.7 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.89 -40.43 96.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.479 . . . . 25.0 109.705 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.99 -43.17 99.41 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.86 -40.01 87.72 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.94 -36.36 73.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 98.6 m -67.91 -31.56 71.43 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 174.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.67 -83.53 0.35 Allowed Glycine 0 C--O 1.247 0.927 0 CA-C-O 121.833 0.685 . . . . 25.0 112.248 176.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -153.03 22.91 0.57 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -59.7 -48.07 83.13 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 119.97 -0.692 . . . . 25.0 112.77 -173.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.69 106.52 0.25 Allowed Glycine 0 C--O 1.198 -2.113 0 N-CA-C 110.315 -1.114 . . . . 25.0 110.315 -173.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -77.03 -21.18 54.95 Favored 'General case' 0 C--O 1.269 2.116 0 O-C-N 120.238 -1.742 . . . . 25.0 112.535 -179.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -157.27 132.5 9.01 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -153.09 150.54 29.22 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 106.74 -1.578 . . . . 25.0 106.74 176.342 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.71 96.08 47.51 Favored Pre-proline 0 N--CA 1.443 -0.795 0 CA-C-O 122.116 0.96 . . . . 25.0 111.233 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.85 173.0 15.23 Favored 'Trans proline' 0 C--O 1.207 -1.063 0 C-N-CA 121.477 1.451 . . . . 25.0 112.386 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -125.01 -7.02 7.2 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 122.562 1.173 . . . . 25.0 112.476 172.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.201 -1.498 0 O-C-N 119.725 -1.859 . . . . 25.0 109.423 -177.927 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.147 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 19' ' ' TYR . 10.1 tt -47.96 -43.78 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.436 0.694 . . . . 25.0 112.201 -175.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.59 -53.93 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.814 -0.554 . . . . 25.0 111.691 -174.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -70.44 -27.29 64.15 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 120.086 -0.646 . . . . 25.0 109.912 -176.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -69.87 -43.19 72.38 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.669 0.747 . . . . 25.0 111.429 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.86 -30.39 26.49 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 115.853 -0.612 . . . . 25.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.16 -42.67 75.59 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 115.674 1.731 . . . . 25.0 115.674 176.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -80.44 -5.07 55.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.003 -0.544 . . . . 25.0 111.478 -172.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -137.65 166.53 23.7 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.592 0.557 . . . . 25.0 110.716 -176.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.05 123.89 26.16 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 N-CA-C 103.21 -2.885 . . . . 25.0 103.21 173.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 110.42 18.58 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.226 -178.251 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.89 143.02 51.13 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 123.917 0.76 . . . . 25.0 110.867 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.27 -47.19 86.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 121.536 -0.727 . . . . 25.0 111.313 176.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.19 -38.45 70.98 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -179.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -73.11 -41.0 64.5 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.941 -0.474 . . . . 25.0 109.962 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.82 -29.03 69.97 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-O 121.891 0.853 . . . . 25.0 110.082 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.26 -20.35 66.38 Favored 'General case' 0 C--O 1.193 -1.884 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.655 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.84 -17.85 61.01 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 121.016 -1.053 . . . . 25.0 108.386 -176.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HD12 ' A' ' 2' ' ' ILE . 53.6 m-85 -95.79 8.85 42.38 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 123.342 0.657 . . . . 25.0 109.703 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.26 124.33 19.97 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 123.231 1.491 . . . . 25.0 110.283 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.496 1.119 . . . . 25.0 111.176 -179.577 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.2 -1.518 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.6 t -79.71 128.63 38.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 105.918 -1.882 . . . . 25.0 105.918 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -109.77 138.76 45.67 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 123.366 1.555 . . . . 25.0 110.948 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.13 176.39 9.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.167 -0.924 . . . . 25.0 109.494 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -85.42 87.61 7.41 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.328 1.061 . . . . 25.0 108.428 167.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -87.11 111.42 20.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 -168.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 m -105.03 -82.26 0.52 Allowed 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -177.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.67 -94.67 2.02 Favored Glycine 0 N--CA 1.484 1.841 0 C-N-CA 119.623 -1.275 . . . . 25.0 115.11 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.5 t -57.76 -42.24 83.61 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.797 1.284 . . . . 25.0 112.617 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -57.67 -36.38 71.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 121.159 -0.963 . . . . 25.0 111.926 176.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.29 -51.65 50.22 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-N 118.903 0.774 . . . . 25.0 109.317 -174.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -29.22 37.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 125.355 1.659 . . . . 25.0 108.291 -175.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -71.19 -40.7 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.521 0.677 . . . . 25.0 112.597 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.73 74.56 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 121.292 -0.88 . . . . 25.0 108.663 176.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.41 -30.6 70.4 Favored 'General case' 0 N--CA 1.428 -1.535 0 O-C-N 121.372 -0.83 . . . . 25.0 111.631 176.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -63.67 -40.33 96.56 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.595 -1.316 . . . . 25.0 113.085 170.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.06 -38.08 89.79 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.804 -1.159 . . . . 25.0 109.85 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.54 -52.84 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.371 0.668 . . . . 25.0 112.063 -175.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 69.1 m -148.07 53.4 1.03 Allowed 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 120.518 -0.473 . . . . 25.0 111.13 -177.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.51 46.69 3.1 Favored Glycine 0 CA--C 1.492 -1.378 0 CA-C-N 115.85 -0.613 . . . . 25.0 114.369 175.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -48.68 69.31 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 -171.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.79 -16.56 19.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.036 0.922 . . . . 25.0 110.144 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.98 150.81 9.64 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.732 -172.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -103.91 -38.14 7.13 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 121.137 0.494 . . . . 25.0 111.272 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -167.89 158.72 10.91 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -150.92 160.79 43.68 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.5 t -118.18 79.96 15.05 Favored Pre-proline 0 CA--C 1.553 1.065 0 CA-C-O 121.887 0.851 . . . . 25.0 108.828 176.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.16 157.19 60.39 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 117.697 -1.068 . . . . 25.0 114.279 176.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -142.92 -63.04 0.42 Allowed 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.12 -0.945 . . . . 25.0 113.335 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 CA--C 1.556 1.201 0 CA-C-O 125.731 2.682 . . . . 25.0 109.161 179.64 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 3.836 0 N-CA-C 119.124 2.41 . . . . 25.0 119.124 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 tt -52.64 -44.95 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 CA-C-N 114.022 -1.089 . . . . 25.0 112.755 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.98 -55.59 21.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 120.285 -1.51 . . . . 25.0 112.686 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.75 -37.41 87.27 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.312 -1.736 . . . . 25.0 106.312 -175.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 124.049 0.843 . . . . 25.0 110.76 -178.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -84.43 -17.78 38.11 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.788 1.28 . . . . 25.0 114.007 -179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -82.77 -43.6 16.55 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.243 -0.911 . . . . 25.0 113.03 174.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -76.07 -26.61 56.67 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.603 1.192 . . . . 25.0 111.935 -175.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.6 m -138.08 146.95 43.55 Favored 'General case' 0 CA--C 1.477 -1.858 0 N-CA-C 104.727 -2.323 . . . . 25.0 104.727 173.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.95 119.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 -177.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 m -64.18 126.71 28.63 Favored 'General case' 0 C--O 1.244 0.81 0 O-C-N 121.619 -0.675 . . . . 25.0 110.133 171.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -74.61 152.85 39.19 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 119.375 -0.93 . . . . 25.0 109.002 178.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -59.11 -32.29 69.69 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.725 0.774 . . . . 25.0 111.104 -177.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.44 -39.93 95.8 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.022 1.329 . . . . 25.0 110.83 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -82.11 -27.84 32.59 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.973 -1.091 . . . . 25.0 109.075 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.27 -36.23 82.43 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.475 0.655 . . . . 25.0 111.662 179.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.7 -26.21 63.64 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.408 172.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -69.75 -21.09 63.48 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.712 -0.677 . . . . 25.0 110.287 -177.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.65 -6.41 59.35 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.898 -0.501 . . . . 25.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -82.17 109.62 16.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 123.596 1.665 . . . . 25.0 113.555 -177.319 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -67.13 117.39 8.2 Favored 'Isoleucine or valine' 0 C--O 1.259 1.593 0 O-C-N 120.885 -1.134 . . . . 25.0 109.131 -178.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -70.79 148.06 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -176.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -160.02 178.11 10.05 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -81.56 93.47 6.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.41 98.87 1.49 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -175.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 m -139.01 167.44 22.04 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 177.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.49 68.18 1.81 Allowed Glycine 0 C--O 1.221 -0.682 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.218 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m 71.11 -26.03 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -60.8 -35.49 76.61 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.54 -51.34 69.01 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.874 0.368 . . . . 25.0 111.736 -178.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -72.67 -29.72 31.26 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-O 121.494 0.664 . . . . 25.0 109.729 -177.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -42.5 74.67 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.901 -1.124 . . . . 25.0 109.088 177.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.04 99.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.047 1.403 . . . . 25.0 109.511 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -38.36 87.63 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 113.672 -1.603 . . . . 25.0 109.047 -178.235 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.66 -37.9 85.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.859 1.059 . . . . 25.0 113.859 173.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.37 -36.74 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.343 -0.223 . . . . 25.0 111.552 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.45 -28.59 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 115.461 1.652 . . . . 25.0 115.461 -178.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.55 33.23 0.27 Allowed 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.484 0.659 . . . . 25.0 112.169 -175.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.9 -60.74 4.08 Favored Glycine 0 C--O 1.195 -2.289 0 O-C-N 120.468 -1.395 . . . . 25.0 113.436 176.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 47.11 48.77 15.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 58.95 19.68 7.39 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.724 1.379 . . . . 25.0 114.724 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.84 -132.62 6.85 Favored Glycine 0 C--O 1.263 1.915 0 N-CA-C 108.872 -1.691 . . . . 25.0 108.872 173.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.52 21.19 12.47 Favored 'General case' 0 C--O 1.27 2.162 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 178.18 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 35.3 t80 54.73 41.37 31.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 123.857 1.789 . . . . 25.0 110.12 175.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -131.99 151.11 51.93 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 111.901 -2.408 . . . . 25.0 105.972 172.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.6 p -117.2 90.31 33.41 Favored Pre-proline 0 C--O 1.256 1.432 0 C-N-CA 121.107 -0.237 . . . . 25.0 111.379 -176.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.77 135.84 22.22 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 115.995 -2.203 . . . . 25.0 112.479 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -157.83 33.39 0.26 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 113.917 -1.492 . . . . 25.0 114.442 178.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.521 3.111 0 C-N-CA 127.313 2.245 . . . . 25.0 116.17 -179.993 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.556 0 N-CA-C 118.407 2.123 . . . . 25.0 118.407 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.1 tt -53.04 -45.58 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.251 -1.146 . . . . 25.0 112.648 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.04 -50.14 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.162 -0.961 . . . . 25.0 113.049 176.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.98 -26.1 64.86 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.612 -1.305 . . . . 25.0 110.074 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -72.24 -38.86 68.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 122.787 1.279 . . . . 25.0 112.312 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 t -93.35 -38.3 11.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.204 1.187 . . . . 25.0 114.204 -174.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -62.09 -23.32 66.44 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -86.99 -5.05 59.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.923 -178.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -138.04 -178.28 5.2 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.083 -1.011 . . . . 25.0 111.158 -176.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 mm -89.31 114.97 28.21 Favored 'Isoleucine or valine' 0 C--O 1.258 1.512 0 N-CA-C 103.566 -2.753 . . . . 25.0 103.566 169.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 113.29 10.21 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 122.085 -0.385 . . . . 25.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 136.89 53.51 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 174.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.91 -22.99 64.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 118.863 0.756 . . . . 25.0 110.924 178.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.85 -37.21 85.57 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 122.721 1.248 . . . . 25.0 109.346 174.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.57 -37.22 60.07 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.688 -1.142 . . . . 25.0 108.4 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.25 -40.24 95.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 124.554 1.159 . . . . 25.0 109.49 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.97 -24.86 66.42 Favored 'General case' 0 C--O 1.255 1.355 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 177.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.58 -17.37 62.3 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.931 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -78.67 -4.21 47.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.652 -0.869 . . . . 25.0 108.652 175.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.3 t -152.97 56.93 0.79 Allowed 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 -173.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 126.041 2.829 . . . . 25.0 109.995 -172.335 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -125.89 148.55 30.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 CA-C-O 122.044 0.926 . . . . 25.0 108.987 -176.162 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -84.09 113.16 20.85 Favored 'General case' 0 C--O 1.192 -1.929 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 173.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.36 154.44 40.9 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.268 1.032 . . . . 25.0 110.71 -175.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -77.9 68.25 3.92 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 123.551 1.643 . . . . 25.0 111.606 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.4 126.37 27.12 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.563 -1.335 . . . . 25.0 108.575 -175.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 t -137.04 -60.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 -170.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 -147.55 4.07 Favored Glycine 0 C--O 1.258 1.595 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 175.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -61.51 -14.85 32.68 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.13 -1.217 . . . . 25.0 112.233 -176.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -60.57 -37.29 80.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 171.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.46 -40.66 97.7 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 124.567 1.167 . . . . 25.0 110.951 -178.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.86 -41.25 79.63 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 122.994 1.378 . . . . 25.0 108.229 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -68.13 -38.26 82.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.392 -1.276 . . . . 25.0 112.091 -178.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.93 94.61 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.563 -1.335 . . . . 25.0 111.832 174.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.93 -43.48 98.68 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 115.138 -0.937 . . . . 25.0 109.502 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -46.23 89.8 Favored 'General case' 0 CA--C 1.499 -1.011 0 C-N-CA 119.358 -0.937 . . . . 25.0 109.855 177.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.78 -33.74 75.8 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.1 m -81.65 -32.32 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 119.751 1.159 . . . . 25.0 110.978 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.87 -49.31 12.12 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 122.302 1.049 . . . . 25.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.9 -84.71 0.68 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 121.209 -0.932 . . . . 25.0 113.919 -178.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -60.42 127.66 32.83 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -177.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 54.14 46.34 25.58 Favored 'General case' 0 C--O 1.196 -1.731 0 N-CA-C 114.069 1.137 . . . . 25.0 114.069 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.71 -168.8 10.16 Favored Glycine 0 C--O 1.214 -1.132 0 CA-C-N 115.749 -0.66 . . . . 25.0 113.296 176.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.33 -42.08 94.92 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 118.489 -1.284 . . . . 25.0 113.235 -179.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -153.41 147.33 25.41 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.652 -1.981 . . . . 25.0 105.652 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -147.68 105.39 3.7 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 118.842 0.746 . . . . 25.0 109.141 -175.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -132.01 112.69 14.71 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 174.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.37 157.58 56.36 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 116.141 -2.106 . . . . 25.0 111.195 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -119.65 -23.97 6.38 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 114.319 -1.31 . . . . 25.0 112.868 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 CA-C-N 112.749 -2.023 . . . . 25.0 110.49 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 CA-C-O 123.469 1.594 . . . . 25.0 115.95 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -58.59 -39.95 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.466 -1.608 . . . . 25.0 112.841 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -70.44 -44.61 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.381 -0.824 . . . . 25.0 111.237 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.1 -38.21 85.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.873 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -72.11 -54.55 9.43 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.097 0.475 . . . . 25.0 110.522 179.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.9 -23.33 63.22 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 -173.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -22.17 66.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.511 -0.875 . . . . 25.0 111.199 177.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -126.22 27.65 6.2 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.772 0.796 . . . . 25.0 109.088 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -141.98 172.31 12.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.436 0.636 . . . . 25.0 109.401 177.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.52 -42.05 25.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 175.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 m 49.0 57.4 6.49 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.754 0.788 . . . . 25.0 110.537 -173.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.36 157.1 20.66 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.921 -1.491 . . . . 25.0 110.613 -175.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.89 62.69 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -177.116 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.31 -36.78 84.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.725 0.774 . . . . 25.0 112.019 178.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -87.65 -38.74 15.63 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.57 -33.33 68.04 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -63.95 -19.62 65.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.764 -0.585 . . . . 25.0 110.504 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -66.72 -25.73 66.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 120.885 -1.135 . . . . 25.0 110.208 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -77.74 -7.71 56.93 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.878 -0.514 . . . . 25.0 110.658 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.56 8.16 27.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.538 0.685 . . . . 25.0 109.616 170.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 121.917 0.865 . . . . 25.0 110.919 177.745 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 122.159 0.98 . . . . 25.0 112.704 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.85 117.43 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 123.823 1.773 . . . . 25.0 110.591 -177.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -82.05 116.98 21.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.576 -1.328 . . . . 25.0 111.749 -178.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -154.69 165.12 37.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -65.95 143.99 57.05 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 120.531 -0.468 . . . . 25.0 110.645 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 147.73 29.73 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.667 0.746 . . . . 25.0 112.054 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -161.65 166.23 27.1 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.07 -141.79 47.59 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 120.072 -1.061 . . . . 25.0 111.606 -177.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -59.73 -29.03 67.85 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.103 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -65.34 -33.72 76.63 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.24 -0.912 . . . . 25.0 109.454 -176.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.51 -52.61 51.47 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 116.118 -0.492 . . . . 25.0 109.697 -178.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.66 -26.7 31.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.082 -176.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.25 -41.18 67.07 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.465 -0.772 . . . . 25.0 111.526 175.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.06 94.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.712 -1.243 . . . . 25.0 108.564 177.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.89 -42.74 99.43 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.597 0.561 . . . . 25.0 111.421 177.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.54 -44.64 95.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 122.37 0.268 . . . . 25.0 111.321 178.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.28 -39.81 86.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.316 1.01 . . . . 25.0 111.982 -177.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.97 -42.36 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.919 0.781 . . . . 25.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.05 77.07 0.11 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-O 121.68 0.752 . . . . 25.0 110.588 177.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.92 -119.37 0.13 Allowed Glycine 0 C--O 1.22 -0.748 0 N-CA-C 119.777 2.671 . . . . 25.0 119.777 178.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 60.74 25.39 15.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.206 0.817 . . . . 25.0 113.206 -176.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -114.96 2.29 14.22 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.55 0.944 . . . . 25.0 113.55 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.5 -49.15 4.19 Favored Glycine 0 C--O 1.212 -1.233 0 C-N-CA 120.313 -0.946 . . . . 25.0 115.178 176.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 50.53 65.87 1.33 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.39 148.43 41.58 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 -179.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 7.6 t80 60.6 101.99 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 117.237 2.31 . . . . 25.0 117.237 -178.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.26 106.99 6.13 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 114.361 -1.29 . . . . 25.0 108.849 174.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.03 148.67 51.36 Favored 'Trans proline' 0 C--O 1.247 0.961 0 C-N-CA 117.218 -1.388 . . . . 25.0 112.465 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -107.13 -26.21 11.21 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 114.71 -1.132 . . . . 25.0 112.018 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 124.04 1.876 . . . . 25.0 113.368 -175.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.378 0 N-CA-C 116.185 1.234 . . . . 25.0 116.185 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -43.37 -44.35 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.415 0 C-N-CA 125.483 1.513 . . . . 25.0 113.943 -170.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.5 -44.19 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -174.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.82 -40.36 75.96 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.519 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.18 -44.87 92.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.2 -32.96 19.52 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 117.748 2.499 . . . . 25.0 117.748 -176.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.6 t -66.96 -34.83 78.63 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 -176.79 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -97.75 142.71 29.19 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t 53.81 45.31 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.668 1.23 . . . . 25.0 110.559 178.091 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt 0.1 99.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.253 1.269 0 CA-C-N 112.297 -2.229 . . . . 25.0 116.5 -178.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -63.47 161.23 14.76 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 110.372 -0.233 . . . . 25.0 110.372 177.058 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.6 p -87.73 151.9 22.55 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 119.125 -0.465 . . . . 25.0 112.106 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.99 -17.39 63.29 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 119.978 1.263 . . . . 25.0 111.035 178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.93 -37.27 75.86 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.849 0.833 . . . . 25.0 110.756 176.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -72.75 -44.54 61.49 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.302 172.606 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 tp -57.69 -35.17 70.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.1 -31.39 71.08 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.996 174.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -18.67 64.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.854 1.206 . . . . 25.0 111.927 178.156 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -74.61 -19.59 60.24 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 119.449 -0.9 . . . . 25.0 111.495 177.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -158.79 98.63 1.51 Allowed 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.572 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.378 1.827 0 C-N-CA 126.201 1.8 . . . . 25.0 110.742 177.237 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 123.922 1.82 . . . . 25.0 114.256 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.58 130.13 26.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -178.5 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -80.56 107.94 13.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.403 0.621 . . . . 25.0 109.864 176.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -152.81 172.08 17.27 Favored 'General case' 0 C--O 1.253 1.246 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 -179.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.92 74.17 0.61 Allowed 'General case' 0 CA--C 1.558 1.285 0 O-C-N 121.223 -0.923 . . . . 25.0 112.055 175.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.98 121.48 14.76 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 119.981 -1.7 . . . . 25.0 108.685 178.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 -130.97 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.862 -1.063 . . . . 25.0 109.511 -171.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -31.61 104.76 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 116.476 1.351 . . . . 25.0 116.476 177.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.18 -44.24 0.34 Allowed 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 127.172 2.189 . . . . 25.0 116.565 -176.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -37.32 74.59 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -178.254 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.64 -49.68 67.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.014 -1.469 . . . . 25.0 113.503 175.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.77 -24.58 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 CA-C-N 120.085 1.312 . . . . 25.0 110.597 -178.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.22 -40.33 82.14 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 119.72 -0.792 . . . . 25.0 112.659 172.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.36 84.21 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.878 0.847 . . . . 25.0 111.872 175.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.88 -44.33 94.25 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-N 114.137 -1.392 . . . . 25.0 108.99 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.47 -40.7 97.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.155 -0.966 . . . . 25.0 109.879 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.2 -41.08 99.12 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.164 -176.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 32.6 m -80.36 -20.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.8 t -96.47 -58.09 2.15 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.63 -58.74 4.99 Favored Glycine 0 N--CA 1.47 0.927 0 O-C-N 119.995 -1.69 . . . . 25.0 112.346 -173.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.43 -131.27 1.02 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 -178.428 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -119.59 29.18 7.74 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 104.21 -2.515 . . . . 25.0 104.21 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 167.7 27.41 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 106.424 -2.67 . . . . 25.0 106.424 -169.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.92 -96.5 0.44 Allowed 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 119.472 1.636 . . . . 25.0 111.583 178.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -129.55 35.75 4.18 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-O 121.432 0.634 . . . . 25.0 110.508 175.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -147.1 152.07 37.89 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 174.219 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -125.19 117.6 25.42 Favored Pre-proline 0 C--O 1.26 1.651 0 CA-C-N 118.318 0.508 . . . . 25.0 110.768 177.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -78.44 173.24 14.05 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 115.887 -2.275 . . . . 25.0 112.576 -177.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -136.57 92.9 2.81 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 106.745 -1.576 . . . . 25.0 106.745 172.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 124.064 1.888 . . . . 25.0 111.607 -174.831 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.933 0 N-CA-C 117.977 1.951 . . . . 25.0 117.977 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.37 -34.23 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-O 123.186 1.47 . . . . 25.0 112.444 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.61 -54.91 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 119.038 -2.289 . . . . 25.0 110.557 177.21 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -28.88 63.12 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.586 -0.846 . . . . 25.0 109.878 -171.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.86 -54.59 32.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 171.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -20.51 52.58 Favored 'General case' 0 C--O 1.181 -2.538 0 C-N-CA 117.529 -1.668 . . . . 25.0 112.558 -171.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.37 -10.04 59.1 Favored 'General case' 0 C--O 1.26 1.652 0 O-C-N 121.154 -0.966 . . . . 25.0 112.615 -179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -119.05 -10.94 9.72 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 123.61 0.569 . . . . 25.0 111.83 179.047 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -123.6 165.28 17.44 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.053 -1.029 . . . . 25.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.47 133.24 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 103.217 -2.882 . . . . 25.0 103.217 172.225 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.73 116.01 21.9 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.807 1.289 . . . . 25.0 111.442 -177.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.52 34.99 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 176.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.26 -31.64 71.26 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.377 0.989 . . . . 25.0 109.833 177.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.31 -43.18 96.57 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -75.98 -38.6 57.27 Favored 'General case' 0 N--CA 1.425 -1.688 0 C-N-CA 119.86 -0.736 . . . . 25.0 112.037 178.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -33.71 75.04 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.093 -0.379 . . . . 25.0 110.118 -177.159 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.71 -17.79 65.04 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.717 1.377 . . . . 25.0 114.717 178.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -72.85 -18.63 61.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.218 -2.176 . . . . 25.0 111.545 172.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.49 -13.79 59.84 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 123.087 1.422 . . . . 25.0 109.4 175.152 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -104.8 31.29 4.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 123.711 1.72 . . . . 25.0 109.106 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--O 1.194 -1.823 0 CA-C-O 123.711 1.72 . . . . 25.0 115.322 176.436 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.193 -1.881 0 CA-C-O 121.361 0.6 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -116.63 140.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.016 -1.677 . . . . 25.0 110.863 174.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -79.08 88.35 4.82 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 110.263 -0.273 . . . . 25.0 110.263 176.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -140.46 169.36 17.8 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.07 135.78 49.61 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.021 -2.214 . . . . 25.0 105.021 172.079 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -132.13 127.04 35.12 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.782 -0.574 . . . . 25.0 109.788 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -139.67 176.38 8.78 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 35.55 -124.85 0.71 Allowed Glycine 0 C--O 1.261 1.806 0 N-CA-C 116.401 1.32 . . . . 25.0 116.401 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.2 p -66.5 -30.55 70.91 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 115.35 1.611 . . . . 25.0 115.35 -174.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -69.2 -37.85 78.31 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.375 -0.828 . . . . 25.0 110.054 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.72 -48.14 67.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.61 -26.28 23.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 118.524 -1.27 . . . . 25.0 110.129 -178.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -48.31 80.07 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.09 -0.644 . . . . 25.0 112.099 171.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.38 92.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.348 -0.842 . . . . 25.0 109.956 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.68 -28.39 69.04 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.09 -35.94 66.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 119.653 -1.904 . . . . 25.0 111.254 172.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.04 -34.56 78.29 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.112 -0.992 . . . . 25.0 109.246 -177.1 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.36 -22.8 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.85 15.18 1.55 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.651 1.352 . . . . 25.0 114.651 -171.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.21 -56.72 23.65 Favored Glycine 0 C--O 1.27 2.377 0 N-CA-C 120.004 2.762 . . . . 25.0 120.004 -175.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 39.49 -106.5 0.06 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -172.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -128.39 20.49 6.22 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 121.913 -0.492 . . . . 25.0 111.624 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.71 -71.23 1.3 Allowed Glycine 0 C--N 1.349 1.263 0 C-N-CA 119.83 -1.176 . . . . 25.0 112.387 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -58.81 -36.44 74.48 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 -176.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -162.16 158.55 24.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 106.654 -1.609 . . . . 25.0 106.654 -177.368 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -159.64 117.05 2.65 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.704 0.288 . . . . 25.0 111.382 179.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -142.66 89.85 8.03 Favored Pre-proline 0 C--O 1.214 -0.78 0 O-C-N 124.331 1.019 . . . . 25.0 111.13 178.377 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.03 156.38 52.05 Favored 'Trans proline' 0 C--O 1.209 -0.952 0 C-N-CA 115.962 -2.226 . . . . 25.0 110.44 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -74.04 -31.95 63.12 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.173 -0.611 . . . . 25.0 111.4 175.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 C--O 1.186 -2.284 0 C-N-CA 124.692 1.197 . . . . 25.0 111.746 -177.664 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -2.272 0 CA-C-O 123.454 1.586 . . . . 25.0 113.764 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -57.26 -32.74 41.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 119.092 -2.417 . . . . 25.0 113.895 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 121.294 1.861 . . . . 25.0 110.426 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.25 -28.45 68.06 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 119.205 -0.998 . . . . 25.0 111.991 179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -65.51 -48.89 71.02 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 122.357 1.075 . . . . 25.0 110.784 175.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -78.39 -23.47 46.78 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 120.531 -1.356 . . . . 25.0 113.128 -173.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -73.45 -22.79 60.09 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.471 -0.768 . . . . 25.0 112.854 175.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -113.41 -17.42 12.25 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 114.73 1.382 . . . . 25.0 114.73 -178.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -141.74 158.33 43.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -74.41 131.84 34.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -178.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 p -118.65 161.76 19.54 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 171.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -146.4 -177.72 5.78 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.246 -0.909 . . . . 25.0 108.947 177.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.06 -36.9 66.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.33 -1.795 . . . . 25.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.31 -44.68 92.53 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 120.446 1.476 . . . . 25.0 112.52 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -73.79 -40.9 63.08 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.931 0.872 . . . . 25.0 109.108 177.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.6 -39.55 94.67 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.367 -0.833 . . . . 25.0 112.362 -172.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.23 -5.81 25.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.761 -0.776 . . . . 25.0 113.028 -179.263 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -70.28 -20.08 63.06 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 174.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -102.29 11.42 38.17 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.099 -1.001 . . . . 25.0 110.409 -178.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -3.32 58.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.067 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.188 -2.172 1 CA-C-O 129.261 4.362 . . . . 25.0 113.122 171.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.196 -1.759 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.93 132.87 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 CA-C-O 123.258 1.504 . . . . 25.0 109.399 176.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -77.0 129.22 35.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.592 -1.318 . . . . 25.0 109.238 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -147.65 175.26 11.02 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 -179.313 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -86.83 130.8 34.32 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 162.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.08 143.36 50.5 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 103.842 -2.651 . . . . 25.0 103.842 176.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -165.23 66.66 0.13 Allowed 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 122.655 1.217 . . . . 25.0 113.632 -171.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.47 -153.36 25.23 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 109.582 -1.407 . . . . 25.0 109.582 -174.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -59.67 -28.28 67.14 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 117.095 2.258 . . . . 25.0 117.095 -174.075 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -39.45 76.05 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.078 177.315 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.68 -52.91 25.86 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -178.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.2 -41.3 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 -178.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -69.7 -48.17 60.57 Favored 'General case' 0 N--CA 1.519 2.976 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -175.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.34 79.29 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.304 1.05 . . . . 25.0 111.119 176.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.25 -32.99 74.39 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 114.201 -1.363 . . . . 25.0 109.604 -175.421 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.38 -41.97 72.35 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.615 0.722 . . . . 25.0 111.947 173.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -58.52 -33.92 70.39 Favored 'General case' 0 C--O 1.265 1.88 0 CA-C-O 117.861 -1.066 . . . . 25.0 111.924 178.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -96.56 -43.66 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 177.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 14.84 14.22 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.965 -1.084 . . . . 25.0 111.918 -169.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 7.71 0.84 Allowed Glycine 0 C--O 1.205 -1.698 0 CA-C-O 116.26 -2.411 . . . . 25.0 116.529 -177.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -67.71 -29.44 68.69 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.656 1.728 . . . . 25.0 109.925 176.582 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -148.17 5.46 0.75 Allowed 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 175.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.73 -34.48 56.42 Favored Glycine 0 N--CA 1.419 -2.473 0 N-CA-C 118.706 2.242 . . . . 25.0 118.706 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -147.73 170.68 17.04 Favored 'General case' 0 C--O 1.201 -1.472 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 173.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -145.2 138.59 26.61 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 172.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -154.11 155.43 35.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.451 -2.426 . . . . 25.0 104.451 177.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 m -117.33 88.69 28.92 Favored Pre-proline 0 C--N 1.354 0.771 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.32 176.33 8.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 121.735 0.334 . . . . 25.0 111.729 -178.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -79.27 109.78 13.92 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-O 123.871 1.796 . . . . 25.0 112.984 -176.227 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 123.468 1.593 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 tt -60.13 -40.84 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 O-C-N 120.632 -1.51 . . . . 25.0 108.179 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.69 -47.25 91.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.251 -179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.64 -13.22 56.85 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 118.993 0.815 . . . . 25.0 111.776 -177.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -81.8 -42.19 20.06 Favored 'General case' 0 C--O 1.202 -1.424 0 CA-C-N 117.718 0.236 . . . . 25.0 110.968 174.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 t -84.78 -57.45 3.11 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-O 122.047 0.927 . . . . 25.0 111.274 -176.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.44 73.2 7.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.053 -1.03 . . . . 25.0 111.222 -176.122 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -158.38 -27.62 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.734 176.606 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -146.47 39.68 1.08 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 121.849 0.833 . . . . 25.0 112.445 -175.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt 66.6 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 123.832 1.777 . . . . 25.0 112.588 -178.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.5 128.25 35.16 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 113.777 -1.556 . . . . 25.0 108.202 174.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -121.81 144.73 48.65 Favored 'General case' 0 CA--C 1.485 -1.541 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 -174.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.12 -37.17 69.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.575 -1.193 . . . . 25.0 110.909 -176.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -49.38 -47.47 47.59 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.531 -0.747 . . . . 25.0 111.379 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -29.54 15.31 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.573 0.582 . . . . 25.0 112.573 -176.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -38.48 85.76 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 122.049 0.928 . . . . 25.0 113.334 177.139 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.45 -22.34 65.5 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 121.005 -1.059 . . . . 25.0 109.928 176.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -68.17 -18.42 64.6 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.086 -1.634 . . . . 25.0 110.997 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -77.44 -0.8 27.28 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.204 177.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -77.8 128.58 34.23 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 121.416 0.627 . . . . 25.0 110.625 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 124.822 2.249 . . . . 25.0 112.013 174.228 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.92 133.38 66.25 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.718 0 N-CA-C 105.825 -1.916 . . . . 25.0 105.825 172.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -76.87 101.9 6.11 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -129.13 160.82 31.65 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -61.16 128.3 35.74 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.17 -0.956 . . . . 25.0 110.801 175.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.03 127.8 27.21 Favored 'General case' 0 C--O 1.209 -1.059 0 C-N-CA 124.46 1.104 . . . . 25.0 110.197 -178.286 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.54 164.45 37.58 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.702 0.683 . . . . 25.0 109.814 -176.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.28 -145.58 47.73 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 120.392 1.451 . . . . 25.0 112.147 172.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -57.99 -35.77 71.68 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 114.104 1.15 . . . . 25.0 114.104 179.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -60.47 -40.05 89.85 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.177 0.806 . . . . 25.0 113.177 -178.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.85 -46.88 67.35 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 123.08 1.419 . . . . 25.0 113.7 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.09 -34.03 57.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 114.526 -1.216 . . . . 25.0 109.587 -177.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.5 -41.04 73.16 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 122.391 1.091 . . . . 25.0 111.205 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.56 75.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.61 -41.37 98.94 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 122.431 0.292 . . . . 25.0 111.495 173.419 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.447 ' HA ' ' HA3' ' B' ' 50' ' ' GLY . 59.1 t80 -61.44 -40.44 94.47 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.114 -1.035 . . . . 25.0 113.004 175.104 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.23 -43.09 82.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.341 0.256 . . . . 25.0 110.755 -174.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.62 -32.58 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.641 0.588 . . . . 25.0 112.123 -177.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.22 39.57 0.01 OUTLIER 'General case' 0 CA--C 1.604 3.049 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -172.391 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' B' ' 46' ' ' TYR . . . -86.5 -162.97 37.79 Favored Glycine 0 C--O 1.242 0.599 0 N-CA-C 118.36 2.104 . . . . 25.0 118.36 -178.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.76 179.01 6.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.862 1.665 . . . . 25.0 114.705 -178.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.3 -16.2 64.13 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.611 1.338 . . . . 25.0 114.611 -178.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.78 0.0 79.08 Favored Glycine 0 C--O 1.184 -2.992 0 N-CA-C 116.376 1.31 . . . . 25.0 116.376 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.23 -11.0 59.98 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -173.708 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -140.74 135.6 31.71 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 123.866 0.867 . . . . 25.0 109.036 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -145.89 119.97 9.45 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.399 -177.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.8 p -136.04 80.45 41.72 Favored Pre-proline 0 N--CA 1.487 1.39 0 N-CA-C 117.105 2.261 . . . . 25.0 117.105 176.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -78.31 105.29 1.96 Allowed 'Trans proline' 0 CA--C 1.557 1.668 0 CA-C-O 122.272 0.863 . . . . 25.0 113.315 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -115.09 45.58 1.6 Allowed 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 122.89 1.329 . . . . 25.0 113.675 -173.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 O-C-N 121.313 -0.867 . . . . 25.0 111.155 176.12 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.852 0 CA-C-O 122.24 0.911 . . . . 25.0 111.111 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -33.48 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.243 172.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.93 -45.65 96.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 121.914 -0.491 . . . . 25.0 111.254 -177.298 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -84.81 -22.29 29.57 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.37 -0.532 . . . . 25.0 111.295 -177.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.6 -34.75 74.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.145 0.578 . . . . 25.0 111.02 175.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.12 -43.82 11.99 Favored 'General case' 0 C--O 1.258 1.549 0 CA-C-O 119.268 -0.396 . . . . 25.0 110.508 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -82.12 54.24 2.46 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -177.107 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -152.66 -5.65 0.21 Allowed 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.496 1.617 . . . . 25.0 109.779 -179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -148.41 -179.5 7.0 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.003 -1.685 . . . . 25.0 107.037 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.34 125.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 104.269 -2.493 . . . . 25.0 104.269 164.558 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.55 125.78 35.72 Favored 'General case' 0 CA--C 1.584 2.275 0 O-C-N 120.922 -1.111 . . . . 25.0 109.861 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -89.87 153.05 20.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 122.016 0.912 . . . . 25.0 108.651 -176.065 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.46 -24.97 66.51 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.395 -1.275 . . . . 25.0 107.921 174.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -66.28 -42.97 87.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 123.291 0.636 . . . . 25.0 112.601 -176.117 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.64 -31.84 28.58 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 177.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 23.0 tp -55.38 -40.67 71.62 Favored 'General case' 0 CA--C 1.564 1.511 0 O-C-N 121.189 -0.944 . . . . 25.0 112.416 172.189 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.16 -15.09 63.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 176.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -73.7 -23.08 59.76 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 119.846 -0.742 . . . . 25.0 109.854 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 17.8 m-85 -84.62 -2.98 58.23 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.69 0.619 . . . . 25.0 110.089 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -108.22 21.53 17.21 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.614 -176.168 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--O 1.199 -1.59 0 CA-C-O 122.91 1.338 . . . . 25.0 110.166 -177.294 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 116.018 1.859 . . . . 25.0 116.018 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.99 89.32 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 O-C-N 120.08 -1.637 . . . . 25.0 109.838 177.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' B' ' 33' ' ' ASN . 1.4 p30 -80.94 101.85 9.74 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 105.12 -2.178 . . . . 25.0 105.12 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -156.5 169.67 24.11 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.18 -1.575 . . . . 25.0 107.733 -168.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.5 83.4 1.49 Allowed 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 121.743 0.783 . . . . 25.0 109.113 165.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.65 121.6 24.88 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.01 -178.99 6.32 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 -176.163 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.29 -134.92 37.07 Favored Glycine 0 C--N 1.318 -0.454 0 N-CA-C 115.528 0.971 . . . . 25.0 115.528 171.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 95.3 p -77.02 -24.84 52.1 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.764 0.826 . . . . 25.0 113.127 178.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -64.28 -26.25 68.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 121.327 -0.858 . . . . 25.0 112.653 176.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.0 -53.74 18.95 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.718 -0.674 . . . . 25.0 110.225 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.56 -35.03 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 122.053 -0.404 . . . . 25.0 111.084 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -43.3 94.77 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.267 0.839 . . . . 25.0 113.267 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.85 81.71 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -179.183 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.3 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.45 -44.39 91.26 Favored 'General case' 0 C--O 1.248 0.98 0 O-C-N 120.934 -1.103 . . . . 25.0 112.838 176.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.48 -38.78 92.21 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 113.505 0.928 . . . . 25.0 113.505 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.66 -29.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.861 177.347 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -82.73 -46.7 12.85 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 119.585 -1.947 . . . . 25.0 112.517 -175.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.19 72.71 Favored Glycine 0 C--O 1.179 -3.3 0 O-C-N 120.998 -1.064 . . . . 25.0 113.622 -174.087 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.31 -74.65 0.34 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -171.345 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -160.18 -30.66 0.06 Allowed 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.91 168.02 11.42 Favored Glycine 0 N--CA 1.478 1.482 0 CA-C-O 118.357 -1.246 . . . . 25.0 111.958 -179.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -124.84 -14.82 6.62 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 124.343 0.673 . . . . 25.0 111.566 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.35 154.1 34.97 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 102.959 -2.978 . . . . 25.0 102.959 178.684 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.51 117.82 11.37 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 -178.083 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -153.27 88.95 3.68 Favored Pre-proline 0 N--CA 1.481 1.118 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.727 179.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.25 146.31 69.15 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.1 -2.133 . . . . 25.0 114.638 177.358 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -137.79 32.17 2.47 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.6 1.667 . . . . 25.0 111.409 170.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.986 0 CA-C-O 124.07 1.89 . . . . 25.0 115.135 -173.483 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.665 0 CA-C-O 122.518 1.065 . . . . 25.0 114.273 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 tt -52.75 -44.7 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -177.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.1 t -57.33 -52.55 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.09 -0.382 . . . . 25.0 111.83 176.025 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.61 -39.71 94.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.056 0.844 . . . . 25.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.78 -39.12 83.85 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 173.553 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.46 -24.25 31.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 25.0 109.86 -177.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -74.11 -39.06 63.63 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -176.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -86.33 151.24 23.74 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.236 -1.394 . . . . 25.0 107.236 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p 58.06 -172.92 0.09 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.827 -1.078 . . . . 25.0 110.777 -178.202 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.73 126.02 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.064 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 116.65 27.46 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.753 -1.202 . . . . 25.0 107.753 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 p -94.29 151.59 19.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -175.477 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.3 -25.25 63.24 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.101 -1.0 . . . . 25.0 108.978 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.56 -40.91 93.35 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.489 -0.757 . . . . 25.0 110.029 174.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -77.36 -37.72 51.67 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 121.736 -0.602 . . . . 25.0 111.194 177.109 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.4 -29.3 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.72 -24.05 67.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 175.184 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.53 -23.06 67.15 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 175.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -89.17 -8.81 52.92 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.195 -0.941 . . . . 25.0 109.122 -178.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.81 33.38 5.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.161 -0.927 . . . . 25.0 109.722 173.569 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.19 -2.045 0 CA-C-O 125.142 2.401 . . . . 25.0 109.742 176.045 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.843 0.83 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.56 140.17 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.701 -1.25 . . . . 25.0 108.252 174.639 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -80.63 98.92 7.88 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 175.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.86 -177.73 6.07 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-O 118.473 -0.775 . . . . 25.0 110.082 -174.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -83.77 80.32 9.18 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 176.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 117.68 18.15 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 -178.102 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 34.7 t -157.4 65.54 0.49 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.936 -166.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.93 -146.16 13.29 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -58.91 -28.85 66.6 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.0 1.4 . . . . 25.0 113.644 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -29.52 70.71 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 114.64 1.348 . . . . 25.0 114.64 176.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.75 -52.48 25.03 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.38 -23.36 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.15 -1.02 . . . . 25.0 111.861 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -71.75 -43.09 66.41 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 120.997 -1.064 . . . . 25.0 110.717 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.62 82.24 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 174.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.77 -45.16 86.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 119.371 -0.347 . . . . 25.0 111.239 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -59.19 -43.13 92.19 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-O 118.494 -0.765 . . . . 25.0 109.814 175.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.76 -42.27 99.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.141 -0.624 . . . . 25.0 112.293 -179.504 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.44 -22.49 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 O-C-N 120.998 -1.064 . . . . 25.0 111.545 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -41.5 54.77 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 120.714 -1.241 . . . . 25.0 109.622 175.275 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.08 -75.92 0.25 Allowed Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.258 1.663 . . . . 25.0 117.258 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -149.48 1.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 117.009 2.226 . . . . 25.0 117.009 -167.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.8 -30.49 71.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -178.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.81 141.41 9.95 Favored Glycine 0 C--N 1.308 -1.02 0 N-CA-C 109.939 -1.264 . . . . 25.0 109.939 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -124.02 -7.4 7.77 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 -179.766 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -138.2 157.98 45.22 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 105.021 -2.215 . . . . 25.0 105.021 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -126.9 116.95 21.61 Favored 'General case' 0 C--O 1.248 1.003 0 O-C-N 120.517 -1.364 . . . . 25.0 108.611 174.132 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 24.9 m -132.04 103.06 14.31 Favored Pre-proline 0 CA--C 1.501 -0.927 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -69.12 145.15 59.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 C-N-CA 117.793 -1.004 . . . . 25.0 109.594 175.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.7 32.65 3.55 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.188 -2.16 0 O-C-N 126.603 2.439 . . . . 25.0 115.012 -177.383 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 114.256 0.462 . . . . 25.0 114.256 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 19' ' ' TYR . 8.5 tt -56.9 -36.35 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 O-C-N 120.293 -1.71 . . . . 25.0 112.09 177.128 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.33 -56.53 15.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 O-C-N 120.901 -1.125 . . . . 25.0 112.253 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.5 -25.55 68.04 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.059 -1.651 . . . . 25.0 113.236 -178.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -77.71 -43.94 29.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 175.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.43 -32.98 42.94 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.004 0.907 . . . . 25.0 113.399 -174.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.3 m -64.08 -13.92 50.88 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 117.011 2.226 . . . . 25.0 117.011 -178.089 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.13 1.67 11.38 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -178.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -138.8 160.26 40.13 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.75 0.786 . . . . 25.0 111.217 -176.054 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.8 mm -77.2 125.08 36.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 118.028 -1.469 . . . . 25.0 107.373 176.116 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.0 m -97.36 119.96 36.84 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 115.154 1.539 . . . . 25.0 115.154 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -82.32 156.68 24.14 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' B' ' 31' ' ' PHE . 31.6 mt -67.77 -34.28 76.49 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.492 0.663 . . . . 25.0 110.488 176.006 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -52.19 -45.51 65.21 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.401 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 -48.28 14.13 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.486 -0.759 . . . . 25.0 111.485 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.74 -38.88 70.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -178.596 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.38 -19.59 65.58 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -67.14 -22.06 65.8 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 120.914 0.388 . . . . 25.0 111.873 179.867 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.423 ' CG ' HD12 ' A' ' 2' ' ' ILE . 98.8 m-85 -84.45 -6.46 59.38 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.585 177.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -89.2 -55.0 3.85 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.763 0.792 . . . . 25.0 110.698 177.166 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 C--O 1.19 -2.037 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 174.083 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 13' ' ' LEU . 40.4 t80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 123.049 1.404 . . . . 25.0 112.767 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.46 110.92 27.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.039 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -76.33 96.18 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.667 1.223 . . . . 25.0 109.681 173.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.68 176.58 8.55 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.114 -1.403 . . . . 25.0 111.76 -170.826 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -92.83 -29.41 15.98 Favored 'General case' 0 C--O 1.191 -2.007 0 C-N-CA 124.313 1.045 . . . . 25.0 112.631 178.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt 45.72 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.914 1.45 . . . . 25.0 114.914 176.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -124.48 112.02 16.4 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -176.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.37 128.84 0.31 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 115.216 0.846 . . . . 25.0 115.216 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m 58.18 -61.79 0.03 OUTLIER 'General case' 0 N--CA 1.523 3.191 0 N-CA-C 115.671 1.73 . . . . 25.0 115.671 -174.122 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.21 -31.63 72.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.197 1.799 . . . . 25.0 114.558 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.97 -57.64 11.93 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 122.072 0.939 . . . . 25.0 111.916 175.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.88 -23.97 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -70.56 -45.37 65.55 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 121.639 0.733 . . . . 25.0 111.896 176.499 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.72 74.88 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 121.692 -0.63 . . . . 25.0 110.986 172.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -43.4 81.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.665 -1.272 . . . . 25.0 111.22 177.171 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.84 -47.27 86.41 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.231 0.923 . . . . 25.0 109.862 178.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.0 -46.06 83.0 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.788 -174.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.14 -31.73 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.179 -1.575 . . . . 25.0 109.73 -178.045 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.68 -33.28 58.26 Favored 'General case' 0 N--CA 1.515 2.812 0 CA-C-O 123.067 1.413 . . . . 25.0 112.288 -177.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.86 65.25 1.99 Allowed Glycine 0 N--CA 1.44 -1.082 0 O-C-N 120.39 -1.444 . . . . 25.0 112.127 -178.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 66.46 -140.69 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 113.069 -1.565 . . . . 25.0 110.879 -171.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 62.96 17.34 9.98 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.482 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.21 166.0 30.17 Favored Glycine 0 CA--C 1.476 -2.378 0 CA-C-O 116.971 -2.016 . . . . 25.0 110.092 178.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 58.93 122.03 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 116.542 2.052 . . . . 25.0 116.542 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -68.77 130.95 44.3 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.968 -0.457 . . . . 25.0 110.533 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 126.42 16.23 Favored 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 -177.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.85 85.3 11.31 Favored Pre-proline 0 N--CA 1.428 -1.569 0 CA-C-O 122.007 0.908 . . . . 25.0 109.993 -175.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.62 146.25 78.69 Favored 'Trans proline' 0 CA--C 1.48 -2.221 0 CA-C-O 121.512 0.547 . . . . 25.0 110.834 175.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -146.08 13.57 1.28 Allowed 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.503 2.211 0 CA-C-O 124.225 1.964 . . . . 25.0 109.503 -178.972 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.204 0 CA-C-O 120.878 0.155 . . . . 25.0 113.172 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -59.22 -34.19 53.01 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.23 -55.88 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.054 0 C-N-CA 118.115 -1.434 . . . . 25.0 109.843 -174.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.01 -26.16 68.73 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 118.921 -0.561 . . . . 25.0 111.665 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.09 -51.74 23.37 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 118.578 0.626 . . . . 25.0 110.901 175.19 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 m -68.36 -26.03 65.37 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.62 -13.72 60.35 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.386 -1.446 . . . . 25.0 114.263 176.263 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -125.18 -18.15 5.49 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -131.08 156.34 45.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.586 1.155 . . . . 25.0 112.003 173.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -77.21 133.59 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -178.123 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.84 84.13 2.16 Favored 'General case' 0 C--O 1.192 -1.939 0 CA-C-O 121.15 0.5 . . . . 25.0 110.063 172.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -62.99 168.29 4.13 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 119.034 -0.508 . . . . 25.0 109.646 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' B' ' 31' ' ' PHE . 2.0 tt -53.8 -34.43 59.14 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 119.407 1.003 . . . . 25.0 112.295 177.566 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -53.6 -35.7 61.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 25.0 111.784 174.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -85.03 -44.35 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.57 1.176 . . . . 25.0 109.105 -178.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.56 -32.64 67.32 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.475 -1.693 . . . . 25.0 111.705 -175.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.67 -23.09 65.85 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.92 1.082 . . . . 25.0 113.92 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.39 -26.24 60.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.881 0.764 . . . . 25.0 111.625 174.512 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -81.0 -0.33 39.12 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.0 3.05 55.74 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 123.501 1.62 . . . . 25.0 110.719 171.365 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.388 2.246 0 CA-C-O 126.03 2.824 . . . . 25.0 112.279 176.106 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 33.2 t80 . . . . . 0 N--CA 1.513 2.706 0 CA-C-O 126.122 2.868 . . . . 25.0 115.989 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.67 125.59 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 CA-C-N 112.848 -1.978 . . . . 25.0 107.348 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.12 101.83 6.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 119.897 -0.721 . . . . 25.0 110.967 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -137.51 166.62 23.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.131 0.972 . . . . 25.0 113.405 178.095 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.73 148.26 33.11 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-O 122.843 1.306 . . . . 25.0 108.555 171.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -132.72 133.09 43.06 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 -177.624 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -146.68 -49.12 0.19 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -173.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.33 -132.09 6.46 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 120.978 -1.076 . . . . 25.0 112.668 -177.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -66.76 -27.18 67.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 118.516 -0.754 . . . . 25.0 111.987 -178.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -39.21 71.97 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 118.492 0.587 . . . . 25.0 110.215 177.748 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.06 -54.19 33.99 Favored 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.991 -1.068 . . . . 25.0 109.559 -178.23 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.98 -27.37 29.77 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.842 0 C-N-CA 118.981 -1.088 . . . . 25.0 113.674 -175.093 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.65 -52.45 51.63 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-O 118.284 -0.865 . . . . 25.0 112.665 168.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.41 90.85 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.001 1.273 . . . . 25.0 109.563 -177.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.87 -40.3 92.44 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 174.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.28 -46.97 84.32 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.43 -35.98 82.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.952 -1.099 . . . . 25.0 110.482 -175.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.59 -37.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 -175.545 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.53 44.13 1.51 Allowed 'General case' 0 C--O 1.25 1.079 0 C-N-CA 122.973 0.509 . . . . 25.0 112.172 -175.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.59 45.05 0.5 Allowed Glycine 0 CA--C 1.542 1.768 0 N-CA-C 119.052 2.381 . . . . 25.0 119.052 -171.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.69 -31.63 66.98 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -176.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -77.27 -8.99 58.52 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.324 1.05 . . . . 25.0 110.978 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -78.9 0.34 Allowed Glycine 0 C--O 1.187 -2.795 0 CA-C-O 118.043 -1.421 . . . . 25.0 115.487 174.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 66.82 118.1 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 123.258 1.504 . . . . 25.0 113.868 -178.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.9 t80 52.74 52.07 14.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 -173.28 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -103.76 124.53 49.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.453 -1.249 . . . . 25.0 110.984 177.191 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.29 81.84 5.97 Favored Pre-proline 0 C--O 1.259 1.562 0 CA-C-N 114.9 -1.045 . . . . 25.0 109.719 -179.564 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.97 159.15 50.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 115.099 -2.801 . . . . 25.0 113.626 -174.695 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -97.96 25.94 5.61 Favored 'General case' 0 C--O 1.199 -1.593 0 CA-C-O 123.056 1.408 . . . . 25.0 111.905 -176.589 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.473 0.702 0 O-C-N 120.902 -1.124 . . . . 25.0 112.341 -177.78 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.355 0 N-CA-C 116.268 1.267 . . . . 25.0 116.268 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -52.11 -45.4 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 O-C-N 121.192 -1.181 . . . . 25.0 112.393 -177.077 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.88 -59.14 2.98 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-N 118.509 0.595 . . . . 25.0 111.862 -178.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.08 -20.95 65.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 118.146 -0.931 . . . . 25.0 112.481 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -73.83 -38.24 64.61 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.255 0.934 . . . . 25.0 111.538 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -45.07 14.66 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 177.187 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.05 -0.14 1.49 Allowed 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.156 2.65 . . . . 25.0 118.156 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -124.34 124.37 42.24 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 176.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t 61.9 -178.71 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.872 0.869 . . . . 25.0 112.433 -166.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -91.52 119.85 39.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.65 166.64 11.4 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 176.901 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -142.92 171.37 14.14 Favored 'General case' 0 C--O 1.261 1.687 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 -171.36 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.06 -32.38 66.16 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 125.724 1.89 . . . . 25.0 111.305 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.86 -42.59 72.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.008 -1.451 . . . . 25.0 110.554 -178.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -85.7 -37.79 19.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -31.39 71.09 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 119.562 -0.256 . . . . 25.0 111.679 -174.135 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.06 -14.4 60.37 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 174.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.63 -39.53 88.59 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 174.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.26 -10.65 57.48 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.568 -0.708 . . . . 25.0 110.529 -176.004 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.7 m -143.37 63.93 1.35 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 121.373 0.606 . . . . 25.0 111.685 -176.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.558 1.171 . . . . 25.0 111.143 -179.626 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.691 1.71 . . . . 25.0 115.173 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 106.13 19.11 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 CA-C-N 114.775 -1.102 . . . . 25.0 111.622 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.35 105.72 16.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.481 177.124 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -147.78 -175.72 4.98 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.429 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -69.11 -29.33 67.38 Favored 'General case' 0 C--O 1.183 -2.408 0 O-C-N 121.863 -0.523 . . . . 25.0 111.615 177.259 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mp 53.38 80.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.394 0.616 . . . . 25.0 111.576 179.109 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.55 163.7 23.58 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.04 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.35 -142.09 42.06 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 108.374 -1.891 . . . . 25.0 108.374 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -59.11 -32.79 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 178.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -57.89 -44.97 87.05 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.994 0.809 . . . . 25.0 110.018 -177.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -57.2 -51.74 68.11 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.454 0.471 . . . . 25.0 112.231 -177.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.88 -29.46 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.441 0.463 . . . . 25.0 112.039 -175.367 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -75.0 -39.63 61.09 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.163 -0.96 . . . . 25.0 113.036 176.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.4 -32.8 70.58 Favored 'General case' 0 C--O 1.268 2.046 0 CA-C-O 118.266 -0.873 . . . . 25.0 108.672 176.185 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.65 -42.34 74.36 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 118.235 -1.386 . . . . 25.0 112.538 175.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.79 -45.54 67.23 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-O 122.324 1.059 . . . . 25.0 110.886 176.829 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.36 -47.79 75.22 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.302 -1.317 . . . . 25.0 112.999 -177.001 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.4 p -75.73 -29.13 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 O-C-N 123.355 0.41 . . . . 25.0 111.078 -173.173 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -48.77 13.14 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 179.031 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 25.59 39.27 Favored Glycine 0 N--CA 1.478 1.436 0 O-C-N 123.536 0.523 . . . . 25.0 113.599 175.714 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -130.86 167.35 19.08 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 123.644 0.778 . . . . 25.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.06 61.24 2.57 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.419 1.088 . . . . 25.0 109.014 176.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.55 -24.19 76.29 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.035 -0.826 . . . . 25.0 111.035 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -126.34 132.44 51.6 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 179.909 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -95.23 64.86 2.76 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 178.723 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.04 145.44 44.04 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.977 -1.01 . . . . 25.0 111.394 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.7 t -147.3 143.5 18.21 Favored Pre-proline 0 C--O 1.257 1.455 0 N-CA-C 106.843 -1.54 . . . . 25.0 106.843 175.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.93 96.03 0.92 Allowed 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 112.421 -4.586 . . . . 25.0 113.258 -178.794 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -147.58 105.17 3.69 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 121.914 0.864 . . . . 25.0 111.068 173.3 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.198 -1.628 0 CA-C-O 123.427 1.584 . . . . 25.0 113.668 -177.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 CA-C-O 122.961 1.312 . . . . 25.0 115.409 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.18 -37.14 60.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.074 -1.839 . . . . 25.0 112.143 173.712 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.03 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.93 -17.95 64.03 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -174.081 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -84.73 -37.47 20.86 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.218 0.821 . . . . 25.0 113.218 178.057 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.43 -25.27 14.26 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -175.008 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -88.15 43.6 1.14 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.803 1.287 . . . . 25.0 110.003 -176.183 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.95 126.25 7.29 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.39 21.86 2.57 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -173.026 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 mm 33.72 100.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 C-N-CA 127.537 2.335 . . . . 25.0 114.624 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -58.82 149.81 25.65 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.42 -1.263 . . . . 25.0 112.279 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -77.0 169.17 18.83 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.283 0.845 . . . . 25.0 113.283 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.79 -29.86 70.41 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 178.726 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.79 -41.79 67.64 Favored 'General case' 0 C--O 1.193 -1.907 0 O-C-N 121.03 -1.044 . . . . 25.0 110.085 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -89.25 -33.21 17.06 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 118.579 -1.248 . . . . 25.0 108.765 177.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.77 72.06 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -175.703 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.6 -25.98 68.48 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.889 173.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.36 -27.87 68.88 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 120.616 -1.303 . . . . 25.0 109.285 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -75.92 -15.52 60.17 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.234 -0.916 . . . . 25.0 109.672 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -72.59 -14.46 61.62 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.886 0.741 . . . . 25.0 109.324 175.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 125.369 1.468 . . . . 25.0 114.909 -177.561 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.186 -2.288 0 CA-C-O 122.427 1.108 . . . . 25.0 113.258 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.96 127.2 65.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 178.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.9 30.04 5.82 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.477 -0.764 . . . . 25.0 111.446 -176.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 59.25 177.57 0.08 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-N 114.017 -1.447 . . . . 25.0 113.936 -178.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -92.63 86.18 5.5 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -117.09 142.46 46.96 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 -177.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 -37.5 0.32 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.512 1.133 . . . . 25.0 113.61 -178.646 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.15 -139.2 4.65 Favored Glycine 0 C--O 1.184 -2.988 0 C-N-CA 119.484 -1.341 . . . . 25.0 113.784 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.1 p -57.16 -30.56 64.57 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 123.047 1.403 . . . . 25.0 111.509 -178.364 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -58.74 -34.87 71.87 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.325 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.73 -53.48 32.93 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 -173.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.87 -21.18 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 CA-C-O 121.412 0.625 . . . . 25.0 112.137 -179.728 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.58 -44.6 50.07 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.278 -1.514 . . . . 25.0 108.772 177.448 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.13 79.75 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -178.073 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.69 -43.94 87.7 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.801 0.688 . . . . 25.0 110.143 179.3 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -55.4 -45.75 76.66 Favored 'General case' 0 C--O 1.246 0.881 0 C-N-CA 119.715 -0.794 . . . . 25.0 112.312 172.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.12 -40.27 94.27 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.235 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.2 -24.81 11.59 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 C-N-CA 119.76 -0.776 . . . . 25.0 112.821 -177.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 75.4 m -78.04 -38.02 45.57 Favored 'General case' 0 C--O 1.256 1.413 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.351 172.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 -88.62 0.43 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.318 -0.944 . . . . 25.0 113.628 179.07 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -160.26 127.9 4.56 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 -175.066 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -148.3 -113.19 0.07 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -177.262 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.4 53.23 0.42 Allowed Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 107.61 -2.196 . . . . 25.0 107.61 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -62.19 -53.8 50.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 -172.737 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.61 132.6 20.26 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 124.191 0.932 . . . . 25.0 109.31 -177.428 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -84.63 103.09 13.44 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.524 -1.287 . . . . 25.0 107.524 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -131.23 82.85 61.69 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.219 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.54 96.32 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 120.459 0.773 . . . . 25.0 113.944 -177.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -141.2 123.65 15.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.015 0.912 . . . . 25.0 108.988 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.208 -1.105 0 CA-C-O 124.302 2.001 . . . . 25.0 113.468 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.143 0 CA-C-O 123.615 1.675 . . . . 25.0 114.439 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 19' ' ' TYR . 4.0 tt -57.78 -38.84 67.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 113.669 -1.266 . . . . 25.0 112.548 -172.217 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.77 -53.22 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 119.37 -0.932 . . . . 25.0 111.216 -174.733 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.97 -31.49 71.85 Favored 'General case' 0 C--O 1.174 -2.913 0 CA-C-O 117.893 -1.051 . . . . 25.0 110.036 178.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.39 -48.47 64.62 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 119.885 1.221 . . . . 25.0 113.279 173.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -26.9 63.28 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.331 1.062 . . . . 25.0 112.844 -177.286 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 35' ' ' HIS . 15.4 t -67.31 -30.39 70.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 120.9 -1.125 . . . . 25.0 113.281 177.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -96.5 -21.19 17.86 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.725 1.75 . . . . 25.0 115.725 175.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -146.13 131.81 18.91 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.128 -0.983 . . . . 25.0 109.608 174.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.84 120.49 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 119.554 1.07 . . . . 25.0 110.465 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 m -65.7 144.65 56.78 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -69.82 136.69 51.08 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 175.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -30.18 71.33 Favored 'General case' 0 C--N 1.315 -0.911 0 O-C-N 121.59 -0.694 . . . . 25.0 109.331 179.029 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.37 -37.63 84.06 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 119.03 -0.509 . . . . 25.0 111.699 177.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -84.47 -37.28 21.56 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.289 -0.964 . . . . 25.0 110.96 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.04 -35.42 71.3 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.11 -28.39 66.48 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 176.088 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -76.02 -11.21 59.91 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.591 -0.731 . . . . 25.0 112.122 -177.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' HD12 ' A' ' 2' ' ' ILE . 58.3 m-85 -83.25 -19.44 36.39 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.203 -1.777 . . . . 25.0 106.203 174.711 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -82.78 123.65 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 122.104 -0.372 . . . . 25.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 C--O 1.196 -1.744 0 CA-C-O 122.826 1.298 . . . . 25.0 112.012 -172.726 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 119.909 3.3 . . . . 25.0 119.909 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.69 119.73 55.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.704 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -119.25 10.73 12.09 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.69 -1.141 . . . . 25.0 108.374 -177.401 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 61.44 -179.29 0.12 Allowed 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.999 -1.455 . . . . 25.0 108.122 -167.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 7' ' ' CYS . 90.7 m-70 -92.0 -56.43 3.08 Favored 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 119.87 -0.732 . . . . 25.0 112.309 -178.182 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.01 149.46 0.05 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.84 1.256 . . . . 25.0 110.695 -173.416 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.37 43.02 0.45 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.444 -1.687 . . . . 25.0 106.444 -176.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.58 -161.58 21.42 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 107.162 -2.375 . . . . 25.0 107.162 -176.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -56.25 -19.31 13.46 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 170.316 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -54.92 -27.78 45.78 Favored 'General case' 0 CA--C 1.589 2.478 0 C-N-CA 123.621 0.769 . . . . 25.0 111.076 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.3 tp -68.87 -50.35 50.55 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -67.59 -30.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.004 -1.078 . . . . 25.0 108.19 177.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.25 -40.75 97.22 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.175 -1.578 . . . . 25.0 109.119 178.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.48 -41.09 85.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 123.353 1.549 . . . . 25.0 111.023 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -37.2 81.39 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.088 -1.415 . . . . 25.0 112.697 178.243 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.68 -46.98 73.88 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.122 0.487 . . . . 25.0 112.238 173.711 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.0 -33.37 75.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.156 -0.449 . . . . 25.0 111.937 -175.128 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 12.5 p -82.05 -31.46 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 C-N-CA 119.889 -0.725 . . . . 25.0 110.986 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.26 -24.23 54.48 Favored 'General case' 0 C--O 1.192 -1.953 0 C-N-CA 119.756 -0.777 . . . . 25.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.49 -70.9 3.06 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-O 119.642 -0.532 . . . . 25.0 113.945 -179.279 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.19 4.9 0.18 Allowed 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -175.2 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -87.34 7.92 26.67 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.199 -0.938 . . . . 25.0 112.147 -175.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.16 160.79 32.92 Favored Glycine 0 C--O 1.198 -2.11 0 CA-C-O 118.411 -1.216 . . . . 25.0 112.301 177.792 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 67.76 140.05 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 127.519 2.328 . . . . 25.0 112.075 177.953 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -144.82 132.18 20.72 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 118.587 -1.245 . . . . 25.0 108.679 -176.3 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -139.81 138.28 35.69 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 124.035 0.835 . . . . 25.0 112.719 177.544 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 38.6 p -123.14 134.09 24.91 Favored Pre-proline 0 N--CA 1.483 1.222 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.913 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.7 173.95 13.35 Favored 'Trans proline' 0 CA--C 1.544 1.004 1 C-N-CA 111.79 -5.007 . . . . 25.0 111.605 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -117.19 26.65 9.62 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.532 -0.73 . . . . 25.0 109.568 176.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.197 -1.71 0 CA-C-O 124.101 1.905 . . . . 25.0 114.909 176.076 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.72 0 CA-C-O 120.219 -0.211 . . . . 25.0 113.461 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -46.29 -54.87 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.951 0 N-CA-C 115.954 1.835 . . . . 25.0 115.954 -177.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.92 -32.24 33.16 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 O-C-N 119.661 -1.899 . . . . 25.0 109.841 -175.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.64 -48.51 81.37 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 106.053 -1.832 . . . . 25.0 106.053 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -66.52 -46.47 76.08 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 121.438 -0.789 . . . . 25.0 111.621 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -72.66 -18.43 61.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 118.268 -1.373 . . . . 25.0 113.588 -174.507 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.29 -25.57 36.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 173.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -102.21 -22.26 14.21 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.615 1.339 . . . . 25.0 114.615 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -136.54 162.76 32.2 Favored 'General case' 0 C--O 1.196 -1.718 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 173.379 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -86.43 128.32 39.58 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 120.698 -1.251 . . . . 25.0 110.929 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.96 108.96 21.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 172.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -82.09 168.47 17.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 tp -48.66 -45.11 38.26 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.06 -38.24 65.03 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 177.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.17 -41.33 25.51 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.178 -0.951 . . . . 25.0 112.053 176.342 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 tp -59.68 -43.78 93.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 122.48 1.133 . . . . 25.0 111.849 -175.095 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -52.83 -33.75 50.79 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 114.707 -1.133 . . . . 25.0 112.389 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -69.89 -17.88 63.38 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.97 -1.081 . . . . 25.0 112.373 -174.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -78.78 -12.27 60.02 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.1 m -111.5 40.16 2.17 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 179.269 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.312 -1.024 0 CA-C-O 127.04 3.305 . . . . 25.0 111.511 175.013 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 C--O 1.186 -2.272 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.08 129.24 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 124.524 2.107 . . . . 25.0 110.798 -178.571 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.42 118.72 21.57 Favored 'General case' 0 C--O 1.258 1.505 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 178.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -155.95 171.28 20.35 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -178.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.65 132.66 40.73 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.862 -1.532 . . . . 25.0 106.862 172.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.04 121.03 40.17 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -176.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 75.6 m -138.76 159.53 41.88 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 112.676 -2.056 . . . . 25.0 110.289 -172.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.2 -138.76 21.32 Favored Glycine 0 C--N 1.312 -0.798 0 CA-C-O 123.924 1.847 . . . . 25.0 113.345 -175.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -65.8 -32.1 73.43 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.095 -1.238 . . . . 25.0 111.35 -175.012 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -60.68 -31.62 70.87 Favored 'General case' 0 C--O 1.193 -1.907 0 CA-C-N 119.251 0.932 . . . . 25.0 111.027 -176.023 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 41' ' ' LEU . 5.3 tt -66.54 -48.16 70.57 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 179.188 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.91 -37.69 79.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.267 -0.896 . . . . 25.0 110.179 -175.116 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.41 -37.2 84.69 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.467 175.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.93 74.09 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 120.498 -1.376 . . . . 25.0 111.397 173.499 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.1 -35.86 81.64 Favored 'General case' 0 CA--C 1.559 1.29 0 O-C-N 124.582 1.176 . . . . 25.0 112.143 174.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.23 -42.99 87.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.917 0.865 . . . . 25.0 112.001 173.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.54 -39.87 92.64 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.601 -1.312 . . . . 25.0 111.925 177.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.34 -28.04 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 CA-C-O 116.226 -1.845 . . . . 25.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -33.56 58.56 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 124.686 1.242 . . . . 25.0 110.918 -178.626 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.41 -103.29 2.8 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 104.448 -3.461 . . . . 25.0 104.448 -168.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.41 175.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.065 1.876 . . . . 25.0 116.065 -179.167 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.19 -27.06 13.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.651 -1.159 . . . . 25.0 109.597 178.031 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.25 1.45 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -177.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.49 -25.64 61.49 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.565 1.682 . . . . 25.0 107.443 -177.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.72 159.25 44.65 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 -178.902 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -131.14 144.48 51.41 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 124.027 0.829 . . . . 25.0 109.025 -178.202 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.57 87.09 1.07 Allowed Pre-proline 0 C--N 1.344 0.348 0 O-C-N 123.511 0.507 . . . . 25.0 112.251 179.131 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.37 157.66 45.19 Favored 'Trans proline' 0 C--O 1.209 -0.937 1 C-N-CA 112.224 -4.718 . . . . 25.0 116.503 177.054 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.73 120.81 15.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 112.82 -1.991 . . . . 25.0 108.489 173.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.296 -1.757 0 CA-C-O 123.73 1.729 . . . . 25.0 111.274 177.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.971 0 CA-C-O 126.582 3.323 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 19' ' ' TYR . 17.7 tt -62.72 -31.43 52.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 O-C-N 118.823 -2.575 . . . . 25.0 111.85 -172.548 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.28 -52.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.111 -0.993 . . . . 25.0 109.951 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -65.15 -25.96 67.97 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 119.446 -0.902 . . . . 25.0 108.873 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.87 -66.19 0.58 Allowed 'General case' 0 C--O 1.204 -1.296 0 O-C-N 123.899 0.75 . . . . 25.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.19 -22.66 65.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.341 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.45 -38.05 74.43 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 119.21 0.914 . . . . 25.0 109.668 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -97.18 -52.06 3.97 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 123.994 0.809 . . . . 25.0 111.997 -177.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.4 m -95.13 113.39 25.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.011 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.39 122.32 7.92 Favored 'Isoleucine or valine' 0 C--O 1.261 1.681 0 CA-C-O 121.51 0.672 . . . . 25.0 110.114 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.22 159.7 15.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 174.795 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -132.03 164.17 26.81 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 -172.128 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HB2' ' CG ' ' B' ' 31' ' ' PHE . 47.2 tp -52.66 -42.57 64.83 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 117.573 -1.203 . . . . 25.0 111.474 -173.113 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.73 -46.52 74.25 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 118.609 0.64 . . . . 25.0 110.775 -178.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -74.88 -40.23 61.06 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 121.092 -1.005 . . . . 25.0 111.596 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.29 -42.06 90.4 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -175.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.7 -32.43 70.5 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -64.58 -16.02 61.99 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 121.076 -1.015 . . . . 25.0 112.606 -176.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 2' ' ' ILE . 72.0 m-85 -78.93 -19.64 51.29 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 25.0 112.121 177.343 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.17 28.47 5.26 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.366 -1.288 . . . . 25.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 C--N 1.394 2.501 0 CA-C-O 127.075 3.321 . . . . 25.0 112.884 174.3 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.407 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 33.6 t80 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.714 0.769 . . . . 25.0 112.536 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.8 116.83 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.547 178.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -81.0 100.7 9.1 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.363 -1.347 . . . . 25.0 107.363 -178.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -136.41 165.09 26.62 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.15 -1.594 . . . . 25.0 109.422 -178.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.57 67.84 1.56 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.483 1.29 . . . . 25.0 114.483 173.87 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.36 125.83 27.9 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 177.192 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -146.8 161.63 40.26 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 103.814 -2.662 . . . . 25.0 103.814 -171.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.96 -150.93 50.97 Favored Glycine 0 C--O 1.255 1.466 0 O-C-N 120.536 -1.352 . . . . 25.0 115.925 -178.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.4 p -59.86 -34.14 72.73 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.521 1.128 . . . . 25.0 112.674 174.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -58.15 -44.63 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 25.0 110.351 -178.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.22 -50.43 73.6 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.74 -23.01 17.54 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.396 -0.922 . . . . 25.0 110.772 -176.205 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -75.17 -36.92 61.45 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 177.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.8 -44.02 86.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.432 1.11 . . . . 25.0 109.739 177.2 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.44 -37.14 86.48 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.876 -1.511 . . . . 25.0 110.586 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.57 -46.31 90.43 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.49 -1.381 . . . . 25.0 114.232 173.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.23 -38.81 92.63 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.447 1.092 . . . . 25.0 112.066 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.58 -37.59 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 N-CA-C 114.98 1.474 . . . . 25.0 114.98 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -165.42 71.65 0.17 Allowed 'General case' 0 C--O 1.198 -1.631 0 O-C-N 121.106 -0.997 . . . . 25.0 109.897 175.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.07 -88.66 0.06 OUTLIER Glycine 0 CA--C 1.554 2.512 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 179.663 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 51.52 17.29 0.54 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 118.462 2.764 . . . . 25.0 118.462 175.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -125.96 -7.71 6.63 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 116.723 2.12 . . . . 25.0 116.723 -177.262 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.45 39.17 4.81 Favored Glycine 0 C--O 1.217 -0.922 0 C-N-CA 120.392 -0.908 . . . . 25.0 111.691 177.102 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -71.71 -21.8 61.72 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.998 0.899 . . . . 25.0 112.544 178.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 36.43 89.05 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 120.195 3.406 . . . . 25.0 120.195 170.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -109.75 112.69 24.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.387 1.089 . . . . 25.0 109.452 177.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -132.25 92.34 28.95 Favored Pre-proline 0 CA--C 1.568 1.665 0 CA-C-N 115.108 -0.951 . . . . 25.0 108.737 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.45 170.45 20.26 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.109 1.206 . . . . 25.0 113.025 -175.447 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -123.48 122.87 39.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 105.476 -2.046 . . . . 25.0 105.476 172.22 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.526 3.355 0 CA-C-O 124.908 2.29 . . . . 25.0 111.555 179.206 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 N-CA-C 115.331 0.892 . . . . 25.0 115.331 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.5 tt -67.41 -27.13 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.414 -1.639 . . . . 25.0 112.751 -178.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.37 -44.54 80.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 -177.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.25 -29.54 61.73 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 123.881 0.738 . . . . 25.0 112.135 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -65.1 -43.75 91.06 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.59 -55.91 5.21 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 117.81 -1.556 . . . . 25.0 109.07 -178.529 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -54.23 -46.11 72.47 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.233 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -71.61 145.63 48.87 Favored 'General case' 0 C--O 1.181 -2.525 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -173.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 50.32 -134.4 1.52 Allowed 'General case' 0 C--O 1.265 1.871 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.218 -173.772 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.99 127.77 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.895 0 C-N-CA 122.956 0.502 . . . . 25.0 111.78 -173.098 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.19 142.16 31.39 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 123.755 0.822 . . . . 25.0 110.507 174.389 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -120.68 158.44 27.44 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.68 -26.34 67.97 Favored 'General case' 0 N--CA 1.424 -1.737 0 O-C-N 124.185 0.928 . . . . 25.0 112.712 177.023 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.51 -47.56 66.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.464 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.57 -40.34 91.31 Favored 'General case' 0 C--O 1.184 -2.357 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.24 174.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -47.27 83.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 121.517 -0.74 . . . . 25.0 112.762 -175.8 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.17 -25.87 67.15 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 124.477 1.11 . . . . 25.0 109.238 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.15 -10.48 59.42 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.356 -0.84 . . . . 25.0 111.147 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.1 -17.96 61.95 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-O 121.674 0.749 . . . . 25.0 109.233 170.696 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.95 58.59 0.85 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.217 -0.902 . . . . 25.0 110.946 173.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.499 2.013 0 O-C-N 125.93 2.019 . . . . 25.0 114.762 176.78 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 123.667 1.699 . . . . 25.0 114.207 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.3 137.83 55.87 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 179.334 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -85.48 123.05 30.48 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.027 175.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.02 176.81 8.51 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 124.889 1.276 . . . . 25.0 111.225 -171.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.2 54.93 1.13 Allowed 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 118.332 0.515 . . . . 25.0 111.623 175.076 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.14 120.65 19.06 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 -175.572 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 t -156.09 172.95 17.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.115 -2.18 . . . . 25.0 105.115 175.479 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.71 -135.15 47.04 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-O 122.568 1.093 . . . . 25.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 86.1 p -62.1 -34.06 75.62 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 113.132 -1.534 . . . . 25.0 112.312 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -72.2 -28.23 63.06 Favored 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.657 -175.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.5 -51.67 58.33 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.835 -1.078 . . . . 25.0 110.705 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -34.71 71.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 124.01 0.819 . . . . 25.0 111.4 177.849 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.9 -48.13 83.22 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.88 0.764 . . . . 25.0 111.345 177.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.21 91.08 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.793 178.079 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.21 -42.4 93.54 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 178.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -62.06 -41.01 97.7 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 121.85 -0.531 . . . . 25.0 110.262 175.614 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.64 -35.66 79.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 117.851 -1.071 . . . . 25.0 109.402 -177.657 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.89 -29.56 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -115.41 -31.71 5.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.182 1.549 . . . . 25.0 115.182 -171.391 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.83 -82.51 1.2 Allowed Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.465 1.346 . . . . 25.0 116.465 175.162 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 57.45 -159.88 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.83 1.652 . . . . 25.0 112.09 -176.517 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -79.33 2.88 19.89 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.839 1.304 . . . . 25.0 110.092 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.35 160.32 35.83 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 114.351 -1.295 . . . . 25.0 110.92 -172.666 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -87.1 -22.05 25.64 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.166 -1.196 . . . . 25.0 112.079 -177.877 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 18.5 t80 51.07 47.86 24.11 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 121.879 0.847 . . . . 25.0 111.671 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -147.33 131.03 16.91 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.147 -177.28 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 101.15 5.64 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 122.443 1.116 . . . . 25.0 111.002 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.56 146.18 54.56 Favored 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 117.486 -1.209 . . . . 25.0 109.817 -176.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -149.43 123.06 9.18 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.562 0.745 . . . . 25.0 109.831 178.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.201 -1.479 0 CA-C-O 123.564 1.65 . . . . 25.0 110.486 -176.701 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.314 0 CA-C-O 124.983 2.435 . . . . 25.0 117.341 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -56.92 -40.82 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 111.881 -2.16 . . . . 25.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.73 -52.0 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -48.92 62.51 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.447 176.466 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -62.6 -55.08 30.42 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.726 0.694 . . . . 25.0 111.948 -179.145 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -76.32 -16.84 59.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.614 1.338 . . . . 25.0 114.614 -176.316 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -86.43 -41.57 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 119.564 1.074 . . . . 25.0 111.565 178.418 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -79.2 -17.76 54.26 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -175.518 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -144.31 155.03 43.64 Favored 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.498 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.72 119.14 28.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -176.289 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.19 157.88 16.57 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.885 -1.507 . . . . 25.0 108.765 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -130.65 176.15 8.42 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 -175.339 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.12 -31.91 65.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.521 -1.362 . . . . 25.0 112.587 -176.275 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.03 -48.25 73.67 Favored 'General case' 0 CA--C 1.487 -1.466 0 C-N-CA 122.288 0.235 . . . . 25.0 111.426 177.628 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -76.57 -42.82 41.3 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 119.509 -0.877 . . . . 25.0 110.816 175.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.08 -35.23 78.04 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -169.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.49 -20.59 64.74 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 118.26 -0.876 . . . . 25.0 111.783 174.846 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.57 -22.87 66.73 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 120.645 1.566 . . . . 25.0 110.564 177.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -79.98 -9.86 59.72 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-O 122.723 1.249 . . . . 25.0 112.768 179.591 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -116.47 43.54 2.19 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-N 113.817 -1.538 . . . . 25.0 109.561 175.478 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 C--O 1.198 -1.633 0 CA-C-O 125.27 2.462 . . . . 25.0 112.044 175.254 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 t80 . . . . . 0 C--O 1.191 -2.017 0 CA-C-O 123.455 1.598 . . . . 25.0 113.48 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -127.19 131.46 70.64 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.483 -1.386 . . . . 25.0 114.546 173.809 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -84.78 107.52 16.99 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-N 114.771 -1.104 . . . . 25.0 112.584 -179.077 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -155.12 172.04 18.79 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 104.982 -2.229 . . . . 25.0 104.982 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -76.4 143.92 40.34 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.087 0.858 . . . . 25.0 111.786 177.235 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -125.42 92.11 3.55 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -172.846 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -97.48 -54.95 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -174.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.47 -90.94 0.53 Allowed Glycine 0 C--N 1.345 1.059 0 CA-C-N 113.01 -1.905 . . . . 25.0 111.126 -175.154 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.3 91.44 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 -178.668 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -59.29 -39.22 82.29 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 122.61 0.364 . . . . 25.0 110.253 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.64 -54.85 37.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.067 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.428 HG13 ' CE1' ' B' ' 54' ' ' PHE . 63.8 t -58.36 -44.13 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.452 0 CA-C-O 120.724 0.297 . . . . 25.0 111.263 -179.239 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.11 -52.26 66.11 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 124.975 1.422 . . . . 25.0 111.299 -178.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.78 79.16 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 -173.717 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.24 -40.71 86.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -66.59 -37.03 84.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 123.704 0.628 . . . . 25.0 110.199 176.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -69.97 -30.03 67.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.323 0.51 . . . . 25.0 110.139 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.77 -50.55 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-O 121.255 0.55 . . . . 25.0 112.0 179.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 12.71 3.14 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 114.44 1.274 . . . . 25.0 114.44 -168.491 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.71 -58.51 10.13 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 117.037 1.575 . . . . 25.0 117.037 -167.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.24 -134.49 1.21 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-O 117.849 -1.072 . . . . 25.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.38 -0.23 55.01 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.556 1.169 . . . . 25.0 111.206 175.627 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.57 -27.28 67.77 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 119.234 2.454 . . . . 25.0 119.234 -174.238 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.428 ' CE1' HG13 ' B' ' 42' ' ' VAL . 0.2 OUTLIER -71.08 -22.33 62.12 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 18.2 t80 50.13 55.54 9.29 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.678 -1.146 . . . . 25.0 111.274 -178.527 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -143.91 140.62 29.82 Favored 'General case' 0 C--O 1.197 -1.704 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 179.357 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 71.7 p -119.22 88.5 37.58 Favored Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.51 149.54 56.09 Favored 'Trans proline' 0 C--O 1.199 -1.473 0 C-N-CA 117.741 -1.039 . . . . 25.0 112.364 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.481 -1.686 0 CA-C-O 124.055 1.883 . . . . 25.0 109.769 177.337 . . . . . . . . 0 0 . 1 stop_ save_